(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]-N-(2,3-dimethylbutan-2-yl)-N-nitro-pentanamide

Systemtic Name: (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]-N-(2,3-dimethylbutan-2-yl)-N-nitro-pentanamide Openeye Name: (2S)-2-amino-5-guanidino-N-nitro-N-(1,1,2-trimethylpropyl)pentanamide CAS Name: (2S)-2-amino-5-(diaminomethylideneamino)-N-(2,3-dimethylbutan-2-yl)-N-nitropentanamide IUPAC Name: (2S)-2-amino-5-(diaminomethylideneamino)-N-(2,3-dimethylbutan-2-yl)-N-nitropentanamide Traditional Name: (2S)-2-amino-5-guanidino-N-nitro-N-thexyl-valeramide Formula: C12H26N6O3 MolecularWeight: 302.37324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C)N(C(=O)C(CCCN=C(N)N)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C)(C)N(C(=O)[C@H](CCCN=C(N)N)N)[N+](=O)[O-]

InChI

InChI=1S/C12H26N6O3/c1-8(2)12(3,4)17(18(20)21)10(19)9(13)6-5-7-16-11(14)15/h8-9H,5-7,13H2,1-4H3,(H4,14,15,16)/t9-/m0/s1