(2S)-2-azanyl-6-[(4,5-dimethoxy-2-nitro-phenyl)methoxycarbonylamino]hexanoic acid

Systemtic Name: (2S)-2-azanyl-6-[(4,5-dimethoxy-2-nitro-phenyl)methoxycarbonylamino]hexanoic acid Openeye Name: (2S)-2-amino-6-[(4,5-dimethoxy-2-nitro-phenyl)methoxycarbonylamino]hexanoic acid CAS Name: (2S)-2-amino-6-[[(4,5-dimethoxy-2-nitrophenyl)methoxy-oxomethyl]amino]hexanoic acid IUPAC Name: (2S)-2-amino-6-[(4,5-dimethoxy-2-nitrophenyl)methoxycarbonylamino]hexanoic acid Traditional Name: (2S)-2-amino-6-[(4,5-dimethoxy-2-nitro-benzyl)oxycarbonylamino]hexanoic acid Formula: C16H23N3O8 MolecularWeight: 385.36912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)COC(=O)NCCCCC(C(=O)O)N)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)COC(=O)NCCCC[C@@H](C(=O)O)N)[N+](=O)[O-])OC

InChI

InChI=1S/C16H23N3O8/c1-25-13-7-10(12(19(23)24)8-14(13)26-2)9-27-16(22)18-6-4-3-5-11(17)15(20)21/h7-8,11H,3-6,9,17H2,1-2H3,(H,18,22)(H,20,21)/t11-/m0/s1