4-[[5-azanyl-2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-5-oxidanylidene-pentanoyl]amino]-5-[[1-[2-[[3-(1H-indol-3-yl)-1-[[4-methyl-1-oxidanylidene-1-[[1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]-3-phenyl-propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[[5-azanyl-2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-5-oxidanylidene-pentanoyl]amino]-5-[[1-[2-[[3-(1H-indol-3-yl)-1-[[4-methyl-1-oxidanylidene-1-[[1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]-3-phenyl-propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[5-amino-2-[(2-amino-3-sulfanyl-propanoyl)amino]-5-oxo-pentanoyl]amino]-5-[[1-[2-[[2-[[1-[[1-benzyl-2-[[2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]amino]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]pyrrolidine-1-carbonyl]-4-hydroxy-4-oxo-butyl]amino]-5-oxo-pentanoic acid CAS Name: 4-[[5-amino-2-[(2-amino-3-mercapto-1-oxopropyl)amino]-1,5-dioxopentyl]amino]-5-[[5-hydroxy-1-[2-[[[1-[[1-[[1-[(1-hydroxy-3-mercapto-1-oxopropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-[[5-amino-2-[(2-amino-3-sulfanylpropanoyl)amino]-5-oxopentanoyl]amino]-5-[[5-hydroxy-1-[2-[[1-[[1-[[1-[(1-hydroxy-1-oxo-3-sulfanylpropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-[[5-amino-2-[(2-amino-3-mercapto-propanoyl)amino]-5-keto-pentanoyl]amino]-5-[[1-[2-[[2-[[1-[[1-benzyl-2-[[2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]amino]-2-keto-ethyl]carbamoyl]-3-methyl-butyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamoyl]pyrrolidine-1-carbonyl]-4-hydroxy-4-keto-butyl]amino]-5-keto-valeric acid Formula: C52H71N11O15S2 MolecularWeight: 1154.31484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CS)C(=O)O)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4CCCN4C(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CS)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CS)C(=O)O)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4CCCN4C(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CS)N

InChI

InChI=1S/C52H71N11O15S2/c1-27(2)21-36(47(72)60-37(22-28-9-4-3-5-10-28)48(73)62-39(26-80)52(77)78)59-49(74)38(23-29-24-55-32-12-7-6-11-30(29)32)61-50(75)40-13-8-20-63(40)51(76)35(16-19-43(67)68)58-46(71)34(15-18-42(65)66)57-45(70)33(14-17-41(54)64)56-44(69)31(53)25-79/h3-7,9-12,24,27,31,33-40,55,79-80H,8,13-23,25-26,53H2,1-2H3,(H2,54,64)(H,56,69)(H,57,70)(H,58,71)(H,59,74)(H,60,72)(H,61,75)(H,62,73)(H,65,66)(H,67,68)(H,77,78)