methyl (2R)-3-(1H-indol-3-yl)-2-[2-[(3-methylphenyl)carbonylamino]ethanoylamino]propanoate

Systemtic Name: methyl (2R)-3-(1H-indol-3-yl)-2-[2-[(3-methylphenyl)carbonylamino]ethanoylamino]propanoate Openeye Name: methyl (2R)-3-(1H-indol-3-yl)-2-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoate CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[2-[[(3-methylphenyl)-oxomethyl]amino]-1-oxoethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-3-(1H-indol-3-yl)-2-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoate Traditional Name: (2R)-3-(1H-indol-3-yl)-2-[[2-(m-toluoylamino)acetyl]amino]propionic acid methyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C22H23N3O4/c1-14-6-5-7-15(10-14)21(27)24-13-20(26)25-19(22(28)29-2)11-16-12-23-18-9-4-3-8-17(16)18/h3-10,12,19,23H,11,13H2,1-2H3,(H,24,27)(H,25,26)/t19-/m1/s1