(2S)-2-[(3-acetamidophenyl)carbamoylamino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[(3-acetamidophenyl)carbamoylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[(3-acetamidophenyl)carbamoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(3-acetamidoanilino)-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[(3-acetamidophenyl)carbamoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[(3-acetamidophenyl)carbamoylamino]-3-phenyl-propionate Formula: C18H18N3O4- MolecularWeight: 340.35322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C18H19N3O4/c1-12(22)19-14-8-5-9-15(11-14)20-18(25)21-16(17(23)24)10-13-6-3-2-4-7-13/h2-9,11,16H,10H2,1H3,(H,19,22)(H,23,24)(H2,20,21,25)/p-1/t16-/m0/s1