(2S,4S)-1-(2-azanylethanoyl)-4-[(4-nitrophenyl)carbonylamino]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4S)-1-(2-azanylethanoyl)-4-[(4-nitrophenyl)carbonylamino]pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S)-1-(2-aminoacetyl)-4-[(4-nitrobenzoyl)amino]pyrrolidine-2-carboxylic acid CAS Name: (2S,4S)-1-(2-amino-1-oxoethyl)-4-[[(4-nitrophenyl)-oxomethyl]amino]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S)-1-(2-aminoacetyl)-4-[(4-nitrobenzoyl)amino]pyrrolidine-2-carboxylic acid Traditional Name: (2S,4S)-1-glycyl-4-[(4-nitrobenzoyl)amino]proline Formula: C14H16N4O6 MolecularWeight: 336.30004

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)O)C(=O)CN)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1[C@@H](CN([C@@H]1C(=O)O)C(=O)CN)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O6/c15-6-12(19)17-7-9(5-11(17)14(21)22)16-13(20)8-1-3-10(4-2-8)18(23)24/h1-4,9,11H,5-7,15H2,(H,16,20)(H,21,22)/t9-,11-/m0/s1