methyl (2S)-2-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[3-(1H-benzimidazol-2-yl)-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-phenyl-propionic acid methyl ester Formula: C20H21N3O3 MolecularWeight: 351.39904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CCC2=NC3=CC=CC=C3N2

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CCC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C20H21N3O3/c1-26-20(25)17(13-14-7-3-2-4-8-14)23-19(24)12-11-18-21-15-9-5-6-10-16(15)22-18/h2-10,17H,11-13H2,1H3,(H,21,22)(H,23,24)/t17-/m0/s1