2-[[(2-aminocarbonyl-4-phenyl-butyl)-(2-methylpropyl)carbamoyl]amino]-3-(4-phenylphenyl)propanoic acid

Systemtic Name: 2-[[(2-aminocarbonyl-4-phenyl-butyl)-(2-methylpropyl)carbamoyl]amino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 2-[[(2-carbamoyl-4-phenyl-butyl)-isobutyl-carbamoyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 2-[[[(2-carbamoyl-4-phenylbutyl)-(2-methylpropyl)amino]-oxomethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 2-[[(2-carbamoyl-4-phenylbutyl)-(2-methylpropyl)carbamoyl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 2-[[(2-carbamoyl-4-phenyl-butyl)-isobutyl-carbamoyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C31H37N3O4 MolecularWeight: 515.64318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(CCC1=CC=CC=C1)C(=O)N)C(=O)NC(CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)CN(CC(CCC1=CC=CC=C1)C(=O)N)C(=O)NC(CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C31H37N3O4/c1-22(2)20-34(21-27(29(32)35)18-13-23-9-5-3-6-10-23)31(38)33-28(30(36)37)19-24-14-16-26(17-15-24)25-11-7-4-8-12-25/h3-12,14-17,22,27-28H,13,18-21H2,1-2H3,(H2,32,35)(H,33,38)(H,36,37)