(2S)-3-(1H-indol-3-yl)-2-[(4-methylphenyl)methoxycarbonylamino]propanoic acid

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-[(4-methylphenyl)methoxycarbonylamino]propanoic acid Openeye Name: (2S)-3-(1H-indol-3-yl)-2-(p-tolylmethoxycarbonylamino)propanoic acid CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[(4-methylphenyl)methoxy-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-[(4-methylphenyl)methoxycarbonylamino]propanoic acid Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[(4-methylbenzyl)oxycarbonylamino]propionic acid Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4/c1-13-6-8-14(9-7-13)12-26-20(25)22-18(19(23)24)10-15-11-21-17-5-3-2-4-16(15)17/h2-9,11,18,21H,10,12H2,1H3,(H,22,25)(H,23,24)/t18-/m0/s1