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

Systemtic Name: (2S)-2-acetamido-5-[bis(azanyl)methylideneamino]-N-(4-nitrophenyl)pentanamide Openeye Name: (2S)-2-acetamido-5-guanidino-N-(4-nitrophenyl)pentanamide CAS Name: (2S)-2-acetamido-5-(diaminomethylideneamino)-N-(4-nitrophenyl)pentanamide IUPAC Name: (2S)-2-acetamido-5-(diaminomethylideneamino)-N-(4-nitrophenyl)pentanamide Traditional Name: (2S)-2-acetamido-5-guanidino-N-(4-nitrophenyl)valeramide Formula: C14H20N6O4 MolecularWeight: 336.3464

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H20N6O4/c1-9(21)18-12(3-2-8-17-14(15)16)13(22)19-10-4-6-11(7-5-10)20(23)24/h4-7,12H,2-3,8H2,1H3,(H,18,21)(H,19,22)(H4,15,16,17)/t12-/m0/s1