6-azanyl-2-[[2-[[2-[[2-[[2-[[2-[[1-(2-azanyl-3-phenyl-propanoyl)pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[2-[[2-[[2-[[2-[[2-[[1-(2-azanyl-3-phenyl-propanoyl)pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[2-[[2-[[2-[[2-[[2-[[1-(2-amino-3-phenyl-propanoyl)pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[2-[[2-[[2-[[2-[[2-[[[1-(2-amino-1-oxo-3-phenylpropyl)-2-pyrrolidinyl]-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-[[2-[[2-[[2-[[2-[[1-(2-amino-3-phenylpropanoyl)pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[4-hydroxy-2-[[4-hydroxy-2-[[4-hydroxy-2-[[4-hydroxy-4-keto-2-[[4-methyl-2-[(1-phenylalanylprolyl)amino]pentanoyl]amino]butanoyl]amino]-4-keto-butanoyl]amino]-4-keto-butanoyl]amino]-4-keto-butanoyl]amino]hexanoic acid Formula: C42H61N9O17 MolecularWeight: 963.98384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)O)NC(=O)C1CCCN1C(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)O)NC(=O)C1CCCN1C(=O)C(CC2=CC=CC=C2)N

InChI

InChI=1S/C42H61N9O17/c1-21(2)15-25(50-40(65)30-12-8-14-51(30)41(66)23(44)16-22-9-4-3-5-10-22)35(60)46-27(18-32(54)55)37(62)48-29(20-34(58)59)39(64)49-28(19-33(56)57)38(63)47-26(17-31(52)53)36(61)45-24(42(67)68)11-6-7-13-43/h3-5,9-10,21,23-30H,6-8,11-20,43-44H2,1-2H3,(H,45,61)(H,46,60)(H,47,63)(H,48,62)(H,49,64)(H,50,65)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,67,68)