(2S)-2-[(4-arsono-2-nitro-phenyl)amino]-6-azanyl-hexanoic acid

Systemtic Name: (2S)-2-[(4-arsono-2-nitro-phenyl)amino]-6-azanyl-hexanoic acid Openeye Name: (2S)-6-amino-2-(4-arsono-2-nitro-anilino)hexanoic acid CAS Name: (2S)-6-amino-2-(4-arsono-2-nitroanilino)hexanoic acid IUPAC Name: (2S)-6-amino-2-(4-arsono-2-nitroanilino)hexanoic acid Traditional Name: (2S)-6-amino-2-(4-arsono-2-nitro-anilino)hexanoic acid Formula: C12H18AsN3O7 MolecularWeight: 391.20882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[As](=O)(O)O)[N+](=O)[O-])NC(CCCCN)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1[As](=O)(O)O)[N+](=O)[O-])N[C@@H](CCCCN)C(=O)O

InChI

InChI=1S/C12H18AsN3O7/c14-6-2-1-3-10(12(17)18)15-9-5-4-8(13(19,20)21)7-11(9)16(22)23/h4-5,7,10,15H,1-3,6,14H2,(H,17,18)(H2,19,20,21)/t10-/m0/s1