(2S)-2-acetamido-3-(1H-indol-3-yl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]propanamide

Systemtic Name: (2S)-2-acetamido-3-(1H-indol-3-yl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]propanamide Openeye Name: (2S)-2-acetamido-N-[(2-hydroxy-5-nitro-phenyl)methyl]-3-(1H-indol-3-yl)propanamide CAS Name: (2S)-2-acetamido-N-[(2-hydroxy-5-nitrophenyl)methyl]-3-(1H-indol-3-yl)propanamide IUPAC Name: (2S)-2-acetamido-N-[(2-hydroxy-5-nitrophenyl)methyl]-3-(1H-indol-3-yl)propanamide Traditional Name: (2S)-2-acetamido-N-(2-hydroxy-5-nitro-benzyl)-3-(1H-indol-3-yl)propionamide Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C20H20N4O5/c1-12(25)23-18(9-13-10-21-17-5-3-2-4-16(13)17)20(27)22-11-14-8-15(24(28)29)6-7-19(14)26/h2-8,10,18,21,26H,9,11H2,1H3,(H,22,27)(H,23,25)/t18-/m0/s1