2-[[2-azanyl-6-[(4-nitrophenyl)methoxycarbonylamino]hexanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[2-azanyl-6-[(4-nitrophenyl)methoxycarbonylamino]hexanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-amino-6-[(4-nitrophenyl)methoxycarbonylamino]hexanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-amino-6-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-1-oxohexyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-amino-6-[(4-nitrophenyl)methoxycarbonylamino]hexanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-amino-6-[(4-nitrobenzyl)oxycarbonylamino]hexanoyl]amino]-3-methyl-butyric acid Formula: C19H28N4O7 MolecularWeight: 424.44822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C(CCCCNC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C(CCCCNC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N

InChI

InChI=1S/C19H28N4O7/c1-12(2)16(18(25)26)22-17(24)15(20)5-3-4-10-21-19(27)30-11-13-6-8-14(9-7-13)23(28)29/h6-9,12,15-16H,3-5,10-11,20H2,1-2H3,(H,21,27)(H,22,24)(H,25,26)