2-[[(2S)-1-(2-carboxyethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-(4-phenylphenyl)propanoic acid

Systemtic Name: 2-[[(2S)-1-(2-carboxyethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 2-[[(1S)-1-benzyl-2-(2-carboxyethylamino)-2-oxo-ethyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 2-[[(2S)-1-(2-carboxyethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 2-[[(2S)-1-(2-carboxyethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 2-[[(1S)-1-benzyl-2-(2-carboxyethylamino)-2-keto-ethyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C27H28N2O5 MolecularWeight: 460.52162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCCC(=O)O)NC(CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NCCC(=O)O)NC(CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C27H28N2O5/c30-25(31)15-16-28-26(32)23(17-19-7-3-1-4-8-19)29-24(27(33)34)18-20-11-13-22(14-12-20)21-9-5-2-6-10-21/h1-14,23-24,29H,15-18H2,(H,28,32)(H,30,31)(H,33,34)/t23-,24?/m0/s1