Exact Mass: 841.4295
Exact Mass Matches: 841.4295
Found 16 metabolites which its exact mass value is equals to given mass value 841.4295,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
cyclo(RLsKDK) (TFA)
cyclo(RLsKDK) (TFA)
cyclo(RLsKDK) (TFA) (BK-1361 (TFA)) is a specific inhibitor of metalloproteinase ADAM8 with an IC50 value of 182 nM. cyclo(RLsKDK) (TFA) has potential applications in inflammatory diseases and cancer[1].
3-[(3s,6r,9z,12s,15s,16r)-3-[(2s)-butan-2-yl]-9-ethylidene-5,8,11,14-tetrahydroxy-15-{[(2s)-1-hydroxy-2-{[(2s)-1-hydroxy-2-{[(2e)-1-hydroxy-2-methylbut-2-en-1-ylidene]amino}-3-methylbutylidene]amino}-3-(4-hydroxyphenyl)propylidene]amino}-12,16-dimethyl-2-oxo-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-6-yl]propanoic acid
3-[(3s,6r,9z,12s,15s,16r)-3-[(2s)-butan-2-yl]-9-ethylidene-5,8,11,14-tetrahydroxy-15-{[(2s)-1-hydroxy-2-{[(2s)-1-hydroxy-2-{[(2e)-1-hydroxy-2-methylbut-2-en-1-ylidene]amino}-3-methylbutylidene]amino}-3-(4-hydroxyphenyl)propylidene]amino}-12,16-dimethyl-2-oxo-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-6-yl]propanoic acid
3-[(9z)-9-ethylidene-5,8,11,14-tetrahydroxy-15-({1-hydroxy-2-[(1-hydroxy-2-{[(2e)-1-hydroxy-2-methylbut-2-en-1-ylidene]amino}-3-methylbutylidene)amino]-3-(4-hydroxyphenyl)propylidene}amino)-12,16-dimethyl-3-(2-methylpropyl)-2-oxo-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-6-yl]propanoic acid
3-[(9z)-9-ethylidene-5,8,11,14-tetrahydroxy-15-({1-hydroxy-2-[(1-hydroxy-2-{[(2e)-1-hydroxy-2-methylbut-2-en-1-ylidene]amino}-3-methylbutylidene)amino]-3-(4-hydroxyphenyl)propylidene}amino)-12,16-dimethyl-3-(2-methylpropyl)-2-oxo-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-6-yl]propanoic acid
3-[(3s,6r,9z,12s,15s,16r)-9-ethylidene-5,8,11,14-tetrahydroxy-15-{[(2s)-1-hydroxy-2-{[(2s)-1-hydroxy-2-[(1-hydroxy-3-methylbut-2-en-1-ylidene)amino]-3-methylbutylidene]amino}-3-(4-hydroxyphenyl)propylidene]amino}-12,16-dimethyl-3-(2-methylpropyl)-2-oxo-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-6-yl]propanoic acid
3-[(3s,6r,9z,12s,15s,16r)-9-ethylidene-5,8,11,14-tetrahydroxy-15-{[(2s)-1-hydroxy-2-{[(2s)-1-hydroxy-2-[(1-hydroxy-3-methylbut-2-en-1-ylidene)amino]-3-methylbutylidene]amino}-3-(4-hydroxyphenyl)propylidene]amino}-12,16-dimethyl-3-(2-methylpropyl)-2-oxo-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-6-yl]propanoic acid
(2s)-2-({[(3s,9s,12s,15r)-12-[(2s)-butan-2-yl]-2,5,11,14-tetrahydroxy-9-[2-(4-hydroxyphenyl)ethyl]-7-methyl-8-oxo-3-(2-phenylethyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl]-c-hydroxycarbonimidoyl}amino)-3-phenylpropanoic acid
(2s)-2-({[(3s,9s,12s,15r)-12-[(2s)-butan-2-yl]-2,5,11,14-tetrahydroxy-9-[2-(4-hydroxyphenyl)ethyl]-7-methyl-8-oxo-3-(2-phenylethyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl]-c-hydroxycarbonimidoyl}amino)-3-phenylpropanoic acid
2-[({3-benzyl-2,5,11,14-tetrahydroxy-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-8-oxo-12-(sec-butyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl}-c-hydroxycarbonimidoyl)amino]-3-phenylpropanoic acid
2-[({3-benzyl-2,5,11,14-tetrahydroxy-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-8-oxo-12-(sec-butyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl}-c-hydroxycarbonimidoyl)amino]-3-phenylpropanoic acid
3-(9-ethylidene-5,8,11,14-tetrahydroxy-15-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-2-methylbut-2-en-1-ylidene)amino]-3-methylbutylidene}amino)-3-(4-hydroxyphenyl)propylidene]amino}-12,16-dimethyl-3-(2-methylpropyl)-2-oxo-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-6-yl)propanoic acid
3-(9-ethylidene-5,8,11,14-tetrahydroxy-15-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-2-methylbut-2-en-1-ylidene)amino]-3-methylbutylidene}amino)-3-(4-hydroxyphenyl)propylidene]amino}-12,16-dimethyl-3-(2-methylpropyl)-2-oxo-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-6-yl)propanoic acid
3-[(3s,6r,9z,12s,15s,16r)-9-ethylidene-5,8,11,14-tetrahydroxy-15-{[(2r)-1-hydroxy-2-{[(2s)-1-hydroxy-2-{[(2e)-1-hydroxy-2-methylbut-2-en-1-ylidene]amino}-3-methylbutylidene]amino}-3-(4-hydroxyphenyl)propylidene]amino}-12,16-dimethyl-3-(2-methylpropyl)-2-oxo-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-6-yl]propanoic acid
3-[(3s,6r,9z,12s,15s,16r)-9-ethylidene-5,8,11,14-tetrahydroxy-15-{[(2r)-1-hydroxy-2-{[(2s)-1-hydroxy-2-{[(2e)-1-hydroxy-2-methylbut-2-en-1-ylidene]amino}-3-methylbutylidene]amino}-3-(4-hydroxyphenyl)propylidene]amino}-12,16-dimethyl-3-(2-methylpropyl)-2-oxo-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-6-yl]propanoic acid
(2s,4r)-4-[({2-[(1r,3r)-1-(acetyloxy)-3-[(2s,3s)-2-({hydroxy[(2r)-1-methylpiperidin-2-yl]methylidene}amino)-3-methyl-n-{[(3-methylbut-2-enoyl)oxy]methyl}pentanamido]-4-methylpentyl]-1,3-thiazol-4-yl}(hydroxy)methylidene)amino]-5-(4-hydroxyphenyl)-2-methylpentanoic acid
(2s,4r)-4-[({2-[(1r,3r)-1-(acetyloxy)-3-[(2s,3s)-2-({hydroxy[(2r)-1-methylpiperidin-2-yl]methylidene}amino)-3-methyl-n-{[(3-methylbut-2-enoyl)oxy]methyl}pentanamido]-4-methylpentyl]-1,3-thiazol-4-yl}(hydroxy)methylidene)amino]-5-(4-hydroxyphenyl)-2-methylpentanoic acid
(2r)-2-({[(3s,6s,9s,12s,15r)-3-benzyl-12-[(2s)-butan-2-yl]-2,5,11,14-tetrahydroxy-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-8-oxo-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl]-c-hydroxycarbonimidoyl}amino)-3-phenylpropanoic acid
(2r)-2-({[(3s,6s,9s,12s,15r)-3-benzyl-12-[(2s)-butan-2-yl]-2,5,11,14-tetrahydroxy-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-8-oxo-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl]-c-hydroxycarbonimidoyl}amino)-3-phenylpropanoic acid
3-phenyl-2-[({2,5,11,14-tetrahydroxy-9-[2-(4-hydroxyphenyl)ethyl]-7-methyl-8-oxo-3-(2-phenylethyl)-12-(sec-butyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl}-c-hydroxycarbonimidoyl)amino]propanoic acid
3-phenyl-2-[({2,5,11,14-tetrahydroxy-9-[2-(4-hydroxyphenyl)ethyl]-7-methyl-8-oxo-3-(2-phenylethyl)-12-(sec-butyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl}-c-hydroxycarbonimidoyl)amino]propanoic acid
(2s)-2-({[(3s,9s,12s,15r)-12-[(2r)-butan-2-yl]-2,5,11,14-tetrahydroxy-9-[2-(4-hydroxyphenyl)ethyl]-7-methyl-8-oxo-3-(2-phenylethyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl]-c-hydroxycarbonimidoyl}amino)-3-phenylpropanoic acid
(2s)-2-({[(3s,9s,12s,15r)-12-[(2r)-butan-2-yl]-2,5,11,14-tetrahydroxy-9-[2-(4-hydroxyphenyl)ethyl]-7-methyl-8-oxo-3-(2-phenylethyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl]-c-hydroxycarbonimidoyl}amino)-3-phenylpropanoic acid
3-(9-ethylidene-5,8,11,14-tetrahydroxy-15-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-3-methylbut-2-en-1-ylidene)amino]-3-methylbutylidene}amino)-3-(4-hydroxyphenyl)propylidene]amino}-12,16-dimethyl-3-(2-methylpropyl)-2-oxo-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-6-yl)propanoic acid
3-(9-ethylidene-5,8,11,14-tetrahydroxy-15-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-3-methylbut-2-en-1-ylidene)amino]-3-methylbutylidene}amino)-3-(4-hydroxyphenyl)propylidene]amino}-12,16-dimethyl-3-(2-methylpropyl)-2-oxo-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-6-yl)propanoic acid
3-phenyl-2-[({2,5,11,14-tetrahydroxy-3-[2-(4-hydroxyphenyl)ethyl]-7-methyl-8-oxo-9-(2-phenylethyl)-12-(sec-butyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl}-c-hydroxycarbonimidoyl)amino]propanoic acid
3-phenyl-2-[({2,5,11,14-tetrahydroxy-3-[2-(4-hydroxyphenyl)ethyl]-7-methyl-8-oxo-9-(2-phenylethyl)-12-(sec-butyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl}-c-hydroxycarbonimidoyl)amino]propanoic acid
