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

Systemtic Name: methyl (2R)-2-(2-benzamidopropanoylamino)-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2R)-2-(2-benzamidopropanoylamino)-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-[(2-benzamido-1-oxopropyl)amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-(2-benzamidopropanoylamino)-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-(2-benzamidopropanoylamino)-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)OC)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4/c1-14(24-21(27)15-8-4-3-5-9-15)20(26)25-19(22(28)29-2)12-16-13-23-18-11-7-6-10-17(16)18/h3-11,13-14,19,23H,12H2,1-2H3,(H,24,27)(H,25,26)/t14?,19-/m1/s1