3-[[2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]-4-[2-[[3-(4-hydroxyphenyl)-1-[[1-[[2-[[3-(1H-indol-3-yl)-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]-4-[2-[[3-(4-hydroxyphenyl)-1-[[1-[[2-[[3-(1H-indol-3-yl)-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 3-[(2,5-diamino-5-oxo-pentanoyl)amino]-4-[2-[[2-[[2-[[2-[[2-[(2-hydroxy-1-methyl-2-oxo-ethyl)amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-4-oxo-butanoic acid CAS Name: 3-[(2,5-diamino-1,5-dioxopentyl)amino]-4-[2-[[[1-[[1-[[2-[[1-[(1-hydroxy-1-oxopropan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-mercapto-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-4-oxobutanoic acid IUPAC Name: 3-[(2,5-diamino-5-oxopentanoyl)amino]-4-[2-[[1-[[1-[[2-[[1-[(1-hydroxy-1-oxopropan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxobutanoic acid Traditional Name: 3-[(2,5-diamino-5-keto-pentanoyl)amino]-4-[2-[[1-(4-hydroxybenzyl)-2-[[2-[[2-[[2-[(2-hydroxy-2-keto-1-methyl-ethyl)amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-2-keto-ethyl]amino]-2-keto-1-(mercaptomethyl)ethyl]amino]-2-keto-ethyl]carbamoyl]pyrrolidino]-4-keto-butyric acid Formula: C42H54N10O13S MolecularWeight: 939.00236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CNC(=O)C(CS)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C4CCCN4C(=O)C(CC(=O)O)NC(=O)C(CCC(=O)N)N

Isomeric SMILES

CC(C(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CNC(=O)C(CS)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C4CCCN4C(=O)C(CC(=O)O)NC(=O)C(CCC(=O)N)N

InChI

InChI=1S/C42H54N10O13S/c1-21(42(64)65)47-38(60)29(16-23-18-45-27-6-3-2-5-25(23)27)48-34(55)19-46-37(59)31(20-66)51-39(61)28(15-22-8-10-24(53)11-9-22)49-40(62)32-7-4-14-52(32)41(63)30(17-35(56)57)50-36(58)26(43)12-13-33(44)54/h2-3,5-6,8-11,18,21,26,28-32,45,53,66H,4,7,12-17,19-20,43H2,1H3,(H2,44,54)(H,46,59)(H,47,60)(H,48,55)(H,49,62)(H,50,58)(H,51,61)(H,56,57)(H,64,65)