(2S)-2-[[(2S)-3-(4-acetamidophenyl)-2-benzamido-propanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[(2S)-3-(4-acetamidophenyl)-2-benzamido-propanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[(2S)-3-(4-acetamidophenyl)-2-benzamido-propanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[(2S)-3-(4-acetamidophenyl)-2-benzamido-1-oxopropyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[(2S)-3-(4-acetamidophenyl)-2-benzamidopropanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[(2S)-3-(4-acetamidophenyl)-2-benzamido-propanoyl]amino]-3-phenyl-propionic acid Formula: C27H27N3O5 MolecularWeight: 473.52038

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H27N3O5/c1-18(31)28-22-14-12-20(13-15-22)16-23(29-25(32)21-10-6-3-7-11-21)26(33)30-24(27(34)35)17-19-8-4-2-5-9-19/h2-15,23-24H,16-17H2,1H3,(H,28,31)(H,29,32)(H,30,33)(H,34,35)/t23-,24-/m0/s1