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

Systemtic Name: (2S)-2-[(4,5-dimethoxy-2-nitro-phenyl)methoxycarbonylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: (2S)-2-[(4,5-dimethoxy-2-nitro-phenyl)methoxycarbonylamino]-3-(1H-indol-3-yl)propanoic acid CAS Name: (2S)-2-[[(4,5-dimethoxy-2-nitrophenyl)methoxy-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: (2S)-2-[(4,5-dimethoxy-2-nitrophenyl)methoxycarbonylamino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: (2S)-2-[(4,5-dimethoxy-2-nitro-benzyl)oxycarbonylamino]-3-(1H-indol-3-yl)propionic acid Formula: C21H21N3O8 MolecularWeight: 443.40674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O8/c1-30-18-8-13(17(24(28)29)9-19(18)31-2)11-32-21(27)23-16(20(25)26)7-12-10-22-15-6-4-3-5-14(12)15/h3-6,8-10,16,22H,7,11H2,1-2H3,(H,23,27)(H,25,26)/t16-/m0/s1