methyl (2R)-2-(2-benzamidoethanoylamino)-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2R)-2-(2-benzamidoethanoylamino)-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2R)-2-[(2-benzamidoacetyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-[(2-benzamido-1-oxoethyl)amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[(2-benzamidoacetyl)amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-(hippuroylamino)-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CNC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)CNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4/c1-28-21(27)18(11-15-12-22-17-10-6-5-9-16(15)17)24-19(25)13-23-20(26)14-7-3-2-4-8-14/h2-10,12,18,22H,11,13H2,1H3,(H,23,26)(H,24,25)/t18-/m1/s1