(2S)-5-(aminocarbonylamino)-2-azanyl-N-(4-nitrophenyl)pentanamide

Systemtic Name: (2S)-5-(aminocarbonylamino)-2-azanyl-N-(4-nitrophenyl)pentanamide Openeye Name: (2S)-2-amino-N-(4-nitrophenyl)-5-ureido-pentanamide CAS Name: (2S)-2-amino-5-(carbamoylamino)-N-(4-nitrophenyl)pentanamide IUPAC Name: (2S)-2-amino-5-(carbamoylamino)-N-(4-nitrophenyl)pentanamide Traditional Name: (2S)-2-amino-N-(4-nitrophenyl)-5-ureido-valeramide Formula: C12H17N5O4 MolecularWeight: 295.29448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N5O4/c13-10(2-1-7-15-12(14)19)11(18)16-8-3-5-9(6-4-8)17(20)21/h3-6,10H,1-2,7,13H2,(H,16,18)(H3,14,15,19)/t10-/m0/s1