(2S)-2-[(3,5-dimethoxyphenyl)methoxycarbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: (2S)-2-[(3,5-dimethoxyphenyl)methoxycarbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: (2S)-2-[(3,5-dimethoxyphenyl)methoxycarbonylamino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[(3,5-dimethoxyphenyl)methoxy-oxomethyl]amino]-3-(1H-indol-3-yl)propanoate IUPAC Name: (2S)-2-[(3,5-dimethoxyphenyl)methoxycarbonylamino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[(3,5-dimethoxybenzyl)oxycarbonylamino]-3-(1H-indol-3-yl)propionate Formula: C21H21N2O6- MolecularWeight: 397.40124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)COC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)[O-])OC

Isomeric SMILES

COC1=CC(=CC(=C1)COC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)[O-])OC

InChI

InChI=1S/C21H22N2O6/c1-27-15-7-13(8-16(10-15)28-2)12-29-21(26)23-19(20(24)25)9-14-11-22-18-6-4-3-5-17(14)18/h3-8,10-11,19,22H,9,12H2,1-2H3,(H,23,26)(H,24,25)/p-1/t19-/m0/s1