2-[[(2S)-2-azanyl-6-[(4-nitrophenyl)carbonylamino]hexanoyl]-methyl-amino]ethanoic acid

Systemtic Name: 2-[[(2S)-2-azanyl-6-[(4-nitrophenyl)carbonylamino]hexanoyl]-methyl-amino]ethanoic acid Openeye Name: 2-[[(2S)-2-amino-6-[(4-nitrobenzoyl)amino]hexanoyl]-methyl-amino]acetic acid CAS Name: 2-[[(2S)-2-amino-6-[[(4-nitrophenyl)-oxomethyl]amino]-1-oxohexyl]-methylamino]acetic acid IUPAC Name: 2-[[(2S)-2-amino-6-[(4-nitrobenzoyl)amino]hexanoyl]-methylamino]acetic acid Traditional Name: 2-[[(2S)-2-amino-6-[(4-nitrobenzoyl)amino]hexanoyl]-methyl-amino]acetic acid Formula: C16H22N4O6 MolecularWeight: 366.36908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O6/c1-19(10-14(21)22)16(24)13(17)4-2-3-9-18-15(23)11-5-7-12(8-6-11)20(25)26/h5-8,13H,2-4,9-10,17H2,1H3,(H,18,23)(H,21,22)/t13-/m0/s1