4-(1H-indol-3-yl)-3-(methylamino)-3-[methyl(phenylmethoxycarbonyl)amino]butanoic acid

Systemtic Name: 4-(1H-indol-3-yl)-3-(methylamino)-3-[methyl(phenylmethoxycarbonyl)amino]butanoic acid Openeye Name: 3-[benzyloxycarbonyl(methyl)amino]-4-(1H-indol-3-yl)-3-(methylamino)butanoic acid CAS Name: 4-(1H-indol-3-yl)-3-(methylamino)-3-[methyl(phenylmethoxycarbonyl)amino]butanoic acid IUPAC Name: 4-(1H-indol-3-yl)-3-(methylamino)-3-[methyl(phenylmethoxycarbonyl)amino]butanoic acid Traditional Name: 3-[carbobenzoxy(methyl)amino]-4-(1H-indol-3-yl)-3-(methylamino)butyric acid Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CC1=CNC2=CC=CC=C21)(CC(=O)O)N(C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CNC(CC1=CNC2=CC=CC=C21)(CC(=O)O)N(C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O4/c1-23-22(13-20(26)27,12-17-14-24-19-11-7-6-10-18(17)19)25(2)21(28)29-15-16-8-4-3-5-9-16/h3-11,14,23-24H,12-13,15H2,1-2H3,(H,26,27)