methyl (2R,3S)-4-azanyl-2-(1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)butanoate

Systemtic Name: methyl (2R,3S)-4-azanyl-2-(1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)butanoate Openeye Name: methyl (2R,3S)-4-amino-2-(1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)butanoate CAS Name: (2R,3S)-4-amino-2-(1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)butanoic acid methyl ester IUPAC Name: methyl (2R,3S)-4-amino-2-(1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)butanoate Traditional Name: (2R,3S)-4-amino-2-(1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)butyric acid methyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(CN)C(C2=CNC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[C@@H](CN)[C@H](C2=CNC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C22H26N2O5/c1-26-18-9-13(10-19(27-2)21(18)28-3)15(11-23)20(22(25)29-4)16-12-24-17-8-6-5-7-14(16)17/h5-10,12,15,20,24H,11,23H2,1-4H3/t15-,20-/m1/s1