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

Systemtic Name: 6-azanyl-2-[[2-[[6-azanyl-2-[[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-3-methyl-pentanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[2-[[6-amino-2-[[2-[(2-amino-4-hydroxy-4-oxo-butanoyl)amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-3-methyl-pentanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[2-[[6-amino-2-[[2-[(2-amino-4-hydroxy-1,4-dioxobutyl)amino]-1-oxo-3-phenylpropyl]amino]-1-oxohexyl]amino]-3-methyl-1-oxopentyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-[[6-amino-2-[[2-[(2-amino-4-hydroxy-4-oxobutanoyl)amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[2-[[6-amino-2-[[2-[(2-amino-4-hydroxy-4-keto-butanoyl)amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-3-methyl-pentanoyl]amino]hexanoic acid Formula: C31H51N7O8 MolecularWeight: 649.77874

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N

InChI

InChI=1S/C31H51N7O8/c1-3-19(2)26(30(44)36-23(31(45)46)14-8-10-16-33)38-28(42)22(13-7-9-15-32)35-29(43)24(17-20-11-5-4-6-12-20)37-27(41)21(34)18-25(39)40/h4-6,11-12,19,21-24,26H,3,7-10,13-18,32-34H2,1-2H3,(H,35,43)(H,36,44)(H,37,41)(H,38,42)(H,39,40)(H,45,46)