(2S)-6-(2-azanylethanoylamino)-2-[(4-fluoranyl-3-nitro-phenyl)carbonylamino]hexanoic acid

Systemtic Name: (2S)-6-(2-azanylethanoylamino)-2-[(4-fluoranyl-3-nitro-phenyl)carbonylamino]hexanoic acid Openeye Name: (2S)-6-[(2-aminoacetyl)amino]-2-[(4-fluoro-3-nitro-benzoyl)amino]hexanoic acid CAS Name: (2S)-6-[(2-amino-1-oxoethyl)amino]-2-[[(4-fluoro-3-nitrophenyl)-oxomethyl]amino]hexanoic acid IUPAC Name: (2S)-6-[(2-aminoacetyl)amino]-2-[(4-fluoro-3-nitrobenzoyl)amino]hexanoic acid Traditional Name: (2S)-2-[(4-fluoro-3-nitro-benzoyl)amino]-6-(glycylamino)hexanoic acid Formula: C15H19FN4O6 MolecularWeight: 370.332963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NC(CCCCNC(=O)CN)C(=O)O)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=C(C=C1C(=O)N[C@@H](CCCCNC(=O)CN)C(=O)O)[N+](=O)[O-])F

InChI

InChI=1S/C15H19FN4O6/c16-10-5-4-9(7-12(10)20(25)26)14(22)19-11(15(23)24)3-1-2-6-18-13(21)8-17/h4-5,7,11H,1-3,6,8,17H2,(H,18,21)(H,19,22)(H,23,24)/t11-/m0/s1