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

Systemtic Name: (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]-N-(4-nitrophenyl)pentanamide Openeye Name: (2S)-2-amino-5-guanidino-N-(4-nitrophenyl)pentanamide CAS Name: (2S)-2-amino-5-(diaminomethylideneamino)-N-(4-nitrophenyl)pentanamide IUPAC Name: (2S)-2-amino-5-(diaminomethylideneamino)-N-(4-nitrophenyl)pentanamide Traditional Name: (2S)-2-amino-5-guanidino-N-(4-nitrophenyl)valeramide Formula: C12H18N6O3 MolecularWeight: 294.30972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N6O3/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)/t10-/m0/s1