(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]-N-(4-nitrophenyl)pentanamide dihydrochloride

Systemtic Name: (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]-N-(4-nitrophenyl)pentanamide dihydrochloride Openeye Name: (2S)-2-amino-5-guanidino-N-(4-nitrophenyl)pentanamide dihydrochloride CAS Name: (2S)-2-amino-5-(diaminomethylideneamino)-N-(4-nitrophenyl)pentanamide dihydrochloride IUPAC Name: (2S)-2-amino-5-(diaminomethylideneamino)-N-(4-nitrophenyl)pentanamide dihydrochloride Traditional Name: (2S)-2-amino-5-guanidino-N-(4-nitrophenyl)valeramide dihydrochloride Formula: C12H20Cl2N6O3 MolecularWeight: 367.2316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C(CCCN=C(N)N)N)[N+](=O)[O-].Cl.Cl

Isomeric SMILES

C1=CC(=CC=C1NC(=O)[C@H](CCCN=C(N)N)N)[N+](=O)[O-].Cl.Cl

InChI

InChI=1S/C12H18N6O3.2ClH/c13-10(2-1-7-16-12(14)15)11(19)17-8-3-5-9(6-4-8)18(20)21;;/h3-6,10H,1-2,7,13H2,(H,17,19)(H4,14,15,16);2*1H/t10-;;/m0../s1