(2S)-3-(7aH-indol-3-yl)-2-[(3,5-dimethoxyphenyl)methoxycarbonylamino]propanoic acid

Systemtic Name: (2S)-3-(7aH-indol-3-yl)-2-[(3,5-dimethoxyphenyl)methoxycarbonylamino]propanoic acid Openeye Name: (2S)-3-(7aH-indol-3-yl)-2-[(3,5-dimethoxyphenyl)methoxycarbonylamino]propanoic acid CAS Name: (2S)-3-(7aH-indol-3-yl)-2-[[(3,5-dimethoxyphenyl)methoxy-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-(7aH-indol-3-yl)-2-[(3,5-dimethoxyphenyl)methoxycarbonylamino]propanoic acid Traditional Name: (2S)-3-(7aH-indol-3-yl)-2-[(3,5-dimethoxybenzyl)oxycarbonylamino]propionic acid Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)COC(=O)NC(CC2=C3C=CC=CC3N=C2)C(=O)O)OC

Isomeric SMILES

COC1=CC(=CC(=C1)COC(=O)N[C@@H](CC2=C3C=CC=CC3N=C2)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/h3-8,10-11,18-19H,9,12H2,1-2H3,(H,23,26)(H,24,25)/t18?,19-/m0/s1