(2S)-2-[(4,5-dimethoxy-2-nitro-phenyl)carbonyl-methyl-amino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: (2S)-2-[(4,5-dimethoxy-2-nitro-phenyl)carbonyl-methyl-amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: (2S)-2-[(4,5-dimethoxy-2-nitro-benzoyl)-methyl-amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: (2S)-2-[[(4,5-dimethoxy-2-nitrophenyl)-oxomethyl]-methylamino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: (2S)-2-[(4,5-dimethoxy-2-nitrobenzoyl)-methylamino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: (2S)-2-[(4,5-dimethoxy-2-nitro-benzoyl)-methyl-amino]-3-(1H-indol-3-yl)propionic acid Formula: C21H21N3O7 MolecularWeight: 427.40734

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CNC2=CC=CC=C21)C(=O)O)C(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

Isomeric SMILES

CN([C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)C(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

InChI

InChI=1S/C21H21N3O7/c1-23(17(21(26)27)8-12-11-22-15-7-5-4-6-13(12)15)20(25)14-9-18(30-2)19(31-3)10-16(14)24(28)29/h4-7,9-11,17,22H,8H2,1-3H3,(H,26,27)/t17-/m0/s1