(2S)-2-azanyl-5-(5-methyl-2-nitro-phenoxy)pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-(5-methyl-2-nitro-phenoxy)pentanoic acid Openeye Name: (2S)-2-amino-5-(5-methyl-2-nitro-phenoxy)pentanoic acid CAS Name: (2S)-2-amino-5-(5-methyl-2-nitrophenoxy)pentanoic acid IUPAC Name: (2S)-2-amino-5-(5-methyl-2-nitrophenoxy)pentanoic acid Traditional Name: (2S)-2-amino-5-(5-methyl-2-nitro-phenoxy)valeric acid Formula: C12H16N2O5 MolecularWeight: 268.26584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])OCCCC(C(=O)O)N

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])OCCC[C@@H](C(=O)O)N

InChI

InChI=1S/C12H16N2O5/c1-8-4-5-10(14(17)18)11(7-8)19-6-2-3-9(13)12(15)16/h4-5,7,9H,2-3,6,13H2,1H3,(H,15,16)/t9-/m0/s1