6-azanyl-2-[[2-[[2-[[2-[[2-[[1-(2-azanyl-3-phenyl-propanoyl)pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-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-[[1-(2-azanyl-3-phenyl-propanoyl)pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-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-[[1-(2-amino-3-phenyl-propanoyl)pyrrolidine-2-carbonyl]amino]-3-hydroxy-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-[[[1-(2-amino-1-oxo-3-phenylpropyl)-2-pyrrolidinyl]-oxomethyl]amino]-3-hydroxy-1-oxobutyl]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-[[1-(2-amino-3-phenylpropanoyl)pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]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-[[3-hydroxy-2-[(1-phenylalanylprolyl)amino]butanoyl]amino]-4-keto-butanoyl]amino]-4-keto-butanoyl]amino]-4-keto-butanoyl]amino]hexanoic acid Formula: C36H52N8O15 MolecularWeight: 836.84268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(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)O

Isomeric SMILES

CC(C(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)O

InChI

InChI=1S/C36H52N8O15/c1-18(45)29(43-33(55)25-11-7-13-44(25)35(57)20(38)14-19-8-3-2-4-9-19)34(56)42-24(17-28(50)51)32(54)41-23(16-27(48)49)31(53)40-22(15-26(46)47)30(52)39-21(36(58)59)10-5-6-12-37/h2-4,8-9,18,20-25,29,45H,5-7,10-17,37-38H2,1H3,(H,39,52)(H,40,53)(H,41,54)(H,42,56)(H,43,55)(H,46,47)(H,48,49)(H,50,51)(H,58,59)