3-[[(2R)-2-[[(2S)-2-benzamido-3-(3-methylphenyl)propanoyl]amino]-2-cyano-ethoxy]methyl]benzoic acid

Systemtic Name: 3-[[(2R)-2-[[(2S)-2-benzamido-3-(3-methylphenyl)propanoyl]amino]-2-cyano-ethoxy]methyl]benzoic acid Openeye Name: 3-[[(2R)-2-[[(2S)-2-benzamido-3-(m-tolyl)propanoyl]amino]-2-cyano-ethoxy]methyl]benzoic acid CAS Name: 3-[[(2R)-2-[[(2S)-2-benzamido-3-(3-methylphenyl)-1-oxopropyl]amino]-2-cyanoethoxy]methyl]benzoic acid IUPAC Name: 3-[[(2R)-2-[[(2S)-2-benzamido-3-(3-methylphenyl)propanoyl]amino]-2-cyanoethoxy]methyl]benzoic acid Traditional Name: 3-[[(2R)-2-[[(2S)-2-benzamido-3-(m-tolyl)propanoyl]amino]-2-cyano-ethoxy]methyl]benzoic acid Formula: C28H27N3O5 MolecularWeight: 485.53108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(C(=O)NC(COCC2=CC=CC(=C2)C(=O)O)C#N)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)C[C@@H](C(=O)N[C@@H](COCC2=CC=CC(=C2)C(=O)O)C#N)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C28H27N3O5/c1-19-7-5-8-20(13-19)15-25(31-26(32)22-10-3-2-4-11-22)27(33)30-24(16-29)18-36-17-21-9-6-12-23(14-21)28(34)35/h2-14,24-25H,15,17-18H2,1H3,(H,30,33)(H,31,32)(H,34,35)/t24-,25+/m1/s1