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

Systemtic Name: (2S)-2-[[(2S)-2-benzamido-3-phenyl-propanoyl]amino]-3-(4-ethoxyphenyl)propanoic acid Openeye Name: (2S)-2-[[(2S)-2-benzamido-3-phenyl-propanoyl]amino]-3-(4-ethoxyphenyl)propanoic acid CAS Name: (2S)-2-[[(2S)-2-benzamido-1-oxo-3-phenylpropyl]amino]-3-(4-ethoxyphenyl)propanoic acid IUPAC Name: (2S)-2-[[(2S)-2-benzamido-3-phenylpropanoyl]amino]-3-(4-ethoxyphenyl)propanoic acid Traditional Name: (2S)-2-[[(2S)-2-benzamido-3-phenyl-propanoyl]amino]-3-p-phenetyl-propionic acid Formula: C27H28N2O5 MolecularWeight: 460.52162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H28N2O5/c1-2-34-22-15-13-20(14-16-22)18-24(27(32)33)29-26(31)23(17-19-9-5-3-6-10-19)28-25(30)21-11-7-4-8-12-21/h3-16,23-24H,2,17-18H2,1H3,(H,28,30)(H,29,31)(H,32,33)/t23-,24-/m0/s1