2-[[3-methyl-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)-(4-phenylphenyl)amino]butan-2-yl]amino]-5-oxidanylidene-5-phenylazanyl-pentanoic acid

Systemtic Name: 2-[[3-methyl-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)-(4-phenylphenyl)amino]butan-2-yl]amino]-5-oxidanylidene-5-phenylazanyl-pentanoic acid Openeye Name: 5-anilino-2-[[1-[(2-hydroxy-1-methyl-2-oxo-ethyl)-(4-phenylphenyl)carbamoyl]-2-methyl-propyl]amino]-5-oxo-pentanoic acid CAS Name: 5-anilino-2-[[1-(N-(1-hydroxy-1-oxopropan-2-yl)-4-phenylanilino)-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 5-anilino-2-[[1-(N-(1-hydroxy-1-oxopropan-2-yl)-4-phenylanilino)-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 5-anilino-2-[[1-[(2-hydroxy-2-keto-1-methyl-ethyl)-(4-phenylphenyl)carbamoyl]-2-methyl-propyl]amino]-5-keto-valeric acid Formula: C31H35N3O6 MolecularWeight: 545.6261

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N(C1=CC=C(C=C1)C2=CC=CC=C2)C(C)C(=O)O)NC(CCC(=O)NC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)C(C(=O)N(C1=CC=C(C=C1)C2=CC=CC=C2)C(C)C(=O)O)NC(CCC(=O)NC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C31H35N3O6/c1-20(2)28(33-26(31(39)40)18-19-27(35)32-24-12-8-5-9-13-24)29(36)34(21(3)30(37)38)25-16-14-23(15-17-25)22-10-6-4-7-11-22/h4-17,20-21,26,28,33H,18-19H2,1-3H3,(H,32,35)(H,37,38)(H,39,40)