methyl (3S)-3-[2-[(3,5-dimethylphenyl)carbonylamino]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (3S)-3-[2-[(3,5-dimethylphenyl)carbonylamino]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (3S)-3-[[2-[(3,5-dimethylbenzoyl)amino]acetyl]amino]-3-phenyl-propanoate CAS Name: (3S)-3-[[2-[[(3,5-dimethylphenyl)-oxomethyl]amino]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (3S)-3-[[2-[(3,5-dimethylbenzoyl)amino]acetyl]amino]-3-phenylpropanoate Traditional Name: (3S)-3-[[2-[(3,5-dimethylbenzoyl)amino]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NCC(=O)NC(CC(=O)OC)C2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NCC(=O)N[C@@H](CC(=O)OC)C2=CC=CC=C2)C

InChI

InChI=1S/C21H24N2O4/c1-14-9-15(2)11-17(10-14)21(26)22-13-19(24)23-18(12-20(25)27-3)16-7-5-4-6-8-16/h4-11,18H,12-13H2,1-3H3,(H,22,26)(H,23,24)/t18-/m0/s1