(2R)-5-[bis(azanyl)methylideneazaniumyl]-2-[(2-nitrophenyl)sulfanylamino]pentanoate

Systemtic Name: (2R)-5-[bis(azanyl)methylideneazaniumyl]-2-[(2-nitrophenyl)sulfanylamino]pentanoate Openeye Name: (2R)-5-(diaminomethyleneammonio)-2-[(2-nitrophenyl)sulfanylamino]pentanoate CAS Name: (2R)-5-(diaminomethylideneammonio)-2-[[(2-nitrophenyl)thio]amino]pentanoate IUPAC Name: (2R)-5-(diaminomethylideneazaniumyl)-2-[(2-nitrophenyl)sulfanylamino]pentanoate Traditional Name: (2R)-5-(diaminomethyleneammonio)-2-[[(2-nitrophenyl)thio]amino]valerate Formula: C12H17N5O4S MolecularWeight: 327.35948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])SNC(CCC[NH+]=C(N)N)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])SN[C@H](CCC[NH+]=C(N)N)C(=O)[O-]

InChI

InChI=1S/C12H17N5O4S/c13-12(14)15-7-3-4-8(11(18)19)16-22-10-6-2-1-5-9(10)17(20)21/h1-2,5-6,8,16H,3-4,7H2,(H,18,19)(H4,13,14,15)/t8-/m1/s1