3-[[2-[2-[(2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl)amino]propanoylamino]-3-methyl-butanoyl]amino]-4-oxidanylidene-7-phenyl-heptanoic acid

Systemtic Name: 3-[[2-[2-[(2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl)amino]propanoylamino]-3-methyl-butanoyl]amino]-4-oxidanylidene-7-phenyl-heptanoic acid Openeye Name: 3-[[2-[2-[(2-acetamido-4-hydroxy-4-oxo-butanoyl)amino]propanoylamino]-3-methyl-butanoyl]amino]-4-oxo-7-phenyl-heptanoic acid CAS Name: 3-[[2-[[2-[(2-acetamido-4-hydroxy-1,4-dioxobutyl)amino]-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-4-oxo-7-phenylheptanoic acid IUPAC Name: 3-[[2-[2-[(2-acetamido-4-hydroxy-4-oxobutanoyl)amino]propanoylamino]-3-methylbutanoyl]amino]-4-oxo-7-phenylheptanoic acid Traditional Name: 3-[[2-[2-[(2-acetamido-4-hydroxy-4-keto-butanoyl)amino]propanoylamino]-3-methyl-butanoyl]amino]-4-keto-7-phenyl-enanthic acid Formula: C27H38N4O9 MolecularWeight: 562.61202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)CCCC1=CC=CC=C1)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C

Isomeric SMILES

CC(C)C(C(=O)NC(CC(=O)O)C(=O)CCCC1=CC=CC=C1)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C

InChI

InChI=1S/C27H38N4O9/c1-15(2)24(31-25(38)16(3)28-26(39)20(14-23(36)37)29-17(4)32)27(40)30-19(13-22(34)35)21(33)12-8-11-18-9-6-5-7-10-18/h5-7,9-10,15-16,19-20,24H,8,11-14H2,1-4H3,(H,28,39)(H,29,32)(H,30,40)(H,31,38)(H,34,35)(H,36,37)