2-[[(3-azanyl-3-oxidanylidene-propyl)-(2-methylpropyl)carbamoyl]amino]-3-(4-phenylphenyl)propanoic acid

Systemtic Name: 2-[[(3-azanyl-3-oxidanylidene-propyl)-(2-methylpropyl)carbamoyl]amino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 2-[[(3-amino-3-oxo-propyl)-isobutyl-carbamoyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 2-[[[(3-amino-3-oxopropyl)-(2-methylpropyl)amino]-oxomethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 2-[[(3-amino-3-oxopropyl)-(2-methylpropyl)carbamoyl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 2-[[(3-amino-3-keto-propyl)-isobutyl-carbamoyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CCC(=O)N)C(=O)NC(CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)CN(CCC(=O)N)C(=O)NC(CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C23H29N3O4/c1-16(2)15-26(13-12-21(24)27)23(30)25-20(22(28)29)14-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-11,16,20H,12-15H2,1-2H3,(H2,24,27)(H,25,30)(H,28,29)