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

Systemtic Name: (2S)-6-(2-azanylethanoylamino)-2-[(2,4-dinitrophenyl)carbonylamino]hexanoic acid Openeye Name: (2S)-6-[(2-aminoacetyl)amino]-2-[(2,4-dinitrobenzoyl)amino]hexanoic acid CAS Name: (2S)-6-[(2-amino-1-oxoethyl)amino]-2-[[(2,4-dinitrophenyl)-oxomethyl]amino]hexanoic acid IUPAC Name: (2S)-6-[(2-aminoacetyl)amino]-2-[(2,4-dinitrobenzoyl)amino]hexanoic acid Traditional Name: (2S)-2-[(2,4-dinitrobenzoyl)amino]-6-(glycylamino)hexanoic acid Formula: C15H19N5O8 MolecularWeight: 397.34006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N5O8/c16-8-13(21)17-6-2-1-3-11(15(23)24)18-14(22)10-5-4-9(19(25)26)7-12(10)20(27)28/h4-5,7,11H,1-3,6,8,16H2,(H,17,21)(H,18,22)(H,23,24)/t11-/m0/s1