3-[2-[[2-[[2-[[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-sulfanyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-4-oxidanylidene-4-[[1-oxidanylidene-1-[[1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]-3-phenyl-propan-2-yl]amino]-3-sulfanyl-propan-2-yl]amino]butanoic acid

Systemtic Name: 3-[2-[[2-[[2-[[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-sulfanyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-4-oxidanylidene-4-[[1-oxidanylidene-1-[[1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]-3-phenyl-propan-2-yl]amino]-3-sulfanyl-propan-2-yl]amino]butanoic acid Openeye Name: 3-[[2-[[2-[[2-[[2-[(2-amino-3-sulfanyl-propanoyl)amino]-4-hydroxy-4-oxo-butanoyl]amino]-3-sulfanyl-propanoyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]-4-[[2-[[1-benzyl-2-[[2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[2-[[2-[[2-[[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-4-hydroxy-1,4-dioxobutyl]amino]-3-mercapto-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]amino]-4-[[1-[[1-[(1-hydroxy-3-mercapto-1-oxopropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-mercapto-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[2-[[2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-4-hydroxy-4-oxobutanoyl]amino]-3-sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-[[1-[[1-[(1-hydroxy-1-oxo-3-sulfanylpropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-[[2-[[2-[[2-[[2-[(2-amino-3-mercapto-propanoyl)amino]-4-hydroxy-4-keto-butanoyl]amino]-3-mercapto-propanoyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]-4-[[2-[[1-benzyl-2-[[2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]amino]-2-keto-ethyl]amino]-2-keto-1-(mercaptomethyl)ethyl]amino]-4-keto-butyric acid Formula: C37H56N12O14S4 MolecularWeight: 1021.17254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CS)C(=O)O)NC(=O)C(CS)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)C(CS)NC(=O)C(CC(=O)O)NC(=O)C(CS)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC(CS)C(=O)O)NC(=O)C(CS)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)C(CS)NC(=O)C(CC(=O)O)NC(=O)C(CS)N

InChI

InChI=1S/C37H56N12O14S4/c38-18(13-64)29(55)45-22(11-28(53)54)33(59)48-23(14-65)34(60)44-19(7-4-8-41-37(39)40)30(56)42-12-26(50)43-21(10-27(51)52)32(58)47-24(15-66)35(61)46-20(9-17-5-2-1-3-6-17)31(57)49-25(16-67)36(62)63/h1-3,5-6,18-25,64-67H,4,7-16,38H2,(H,42,56)(H,43,50)(H,44,60)(H,45,55)(H,46,61)(H,47,58)(H,48,59)(H,49,57)(H,51,52)(H,53,54)(H,62,63)(H4,39,40,41)