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

Systemtic Name: 4-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-5-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]pentanoic acid Openeye Name: 4-[[2-[(2-amino-3-phenyl-propanoyl)amino]-4-hydroxy-4-oxo-butanoyl]amino]-5-[(1-benzyl-2-hydroxy-2-oxo-ethyl)amino]-5-oxo-pentanoic acid CAS Name: 4-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-4-hydroxy-1,4-dioxobutyl]amino]-5-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid IUPAC Name: 4-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-hydroxy-4-oxobutanoyl]amino]-5-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid Traditional Name: 5-[(1-benzyl-2-hydroxy-2-keto-ethyl)amino]-4-[[4-hydroxy-4-keto-2-(phenylalanylamino)butanoyl]amino]-5-keto-valeric acid Formula: C27H32N4O9 MolecularWeight: 556.56438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O9/c28-18(13-16-7-3-1-4-8-16)24(36)30-20(15-23(34)35)26(38)29-19(11-12-22(32)33)25(37)31-21(27(39)40)14-17-9-5-2-6-10-17/h1-10,18-21H,11-15,28H2,(H,29,38)(H,30,36)(H,31,37)(H,32,33)(H,34,35)(H,39,40)