4-[[2-[[4-azanyl-2-[[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-sulfanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-5-oxidanylidene-5-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]pentanoic acid

Systemtic Name: 4-[[2-[[4-azanyl-2-[[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-sulfanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-5-oxidanylidene-5-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]pentanoic acid Openeye Name: 4-[[2-[[4-amino-2-[[2-[[2-[(2-amino-3-phenyl-propanoyl)amino]-3-sulfanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxo-butanoyl]amino]-3-hydroxy-butanoyl]amino]-5-[(1-benzyl-2-hydroxy-2-oxo-ethyl)amino]-5-oxo-pentanoic acid CAS Name: 4-[[2-[[4-amino-2-[[2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-3-mercapto-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-1,4-dioxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-5-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid IUPAC Name: 4-[[2-[[4-amino-2-[[2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-5-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid Traditional Name: 4-[[2-[[4-amino-4-keto-2-[[2-[[3-mercapto-2-(phenylalanylamino)propanoyl]amino]-4-methyl-pentanoyl]amino]butanoyl]amino]-3-hydroxy-butanoyl]amino]-5-[(1-benzyl-2-hydroxy-2-keto-ethyl)amino]-5-keto-valeric acid Formula: C40H56N8O12S MolecularWeight: 872.98404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(=O)N)C(=O)NC(C(C)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(CS)NC(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CC(=O)N)C(=O)NC(C(C)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(CS)NC(=O)C(CC2=CC=CC=C2)N

InChI

InChI=1S/C40H56N8O12S/c1-21(2)16-27(44-38(57)30(20-61)47-34(53)25(41)17-23-10-6-4-7-11-23)36(55)45-28(19-31(42)50)37(56)48-33(22(3)49)39(58)43-26(14-15-32(51)52)35(54)46-29(40(59)60)18-24-12-8-5-9-13-24/h4-13,21-22,25-30,33,49,61H,14-20,41H2,1-3H3,(H2,42,50)(H,43,58)(H,44,57)(H,45,55)(H,46,54)(H,47,53)(H,48,56)(H,51,52)(H,59,60)