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

Systemtic Name: 6-azanyl-2-[[2-[[2-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[2-[[2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-4-hydroxy-4-oxo-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[2-[[2-[[2-[(2-amino-4-methyl-1-oxopentyl)amino]-4-hydroxy-1,4-dioxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-4-hydroxy-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[2-[[2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-4-hydroxy-4-keto-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]hexanoic acid Formula: C31H50N6O9 MolecularWeight: 650.7635

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H50N6O9/c1-5-18(4)26(30(44)34-22(31(45)46)8-6-7-13-32)37-29(43)23(15-19-9-11-20(38)12-10-19)36-28(42)24(16-25(39)40)35-27(41)21(33)14-17(2)3/h9-12,17-18,21-24,26,38H,5-8,13-16,32-33H2,1-4H3,(H,34,44)(H,35,41)(H,36,42)(H,37,43)(H,39,40)(H,45,46)