(2S)-6-(2-azanylethanoylamino)-2-[(4-nitrophenyl)carbonylamino]hexanoic acid

Systemtic Name: (2S)-6-(2-azanylethanoylamino)-2-[(4-nitrophenyl)carbonylamino]hexanoic acid Openeye Name: (2S)-6-[(2-aminoacetyl)amino]-2-[(4-nitrobenzoyl)amino]hexanoic acid CAS Name: (2S)-6-[(2-amino-1-oxoethyl)amino]-2-[[(4-nitrophenyl)-oxomethyl]amino]hexanoic acid IUPAC Name: (2S)-6-[(2-aminoacetyl)amino]-2-[(4-nitrobenzoyl)amino]hexanoic acid Traditional Name: (2S)-6-(glycylamino)-2-[(4-nitrobenzoyl)amino]hexanoic acid Formula: C15H20N4O6 MolecularWeight: 352.3425

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O6/c16-9-13(20)17-8-2-1-3-12(15(22)23)18-14(21)10-4-6-11(7-5-10)19(24)25/h4-7,12H,1-3,8-9,16H2,(H,17,20)(H,18,21)(H,22,23)/t12-/m0/s1