(4-aminocarbonyl-2-nitro-phenyl)methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propionic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C21H20N4O6 MolecularWeight: 424.4067

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O6/c1-12(26)24-18(8-15-10-23-17-5-3-2-4-16(15)17)21(28)31-11-14-7-6-13(20(22)27)9-19(14)25(29)30/h2-7,9-10,18,23H,8,11H2,1H3,(H2,22,27)(H,24,26)/t18-/m0/s1