(2S)-5-[bis(azanyl)methylideneamino]-N-oxidanyl-2-(phenylcarbamoylamino)pentanamide

Systemtic Name: (2S)-5-[bis(azanyl)methylideneamino]-N-oxidanyl-2-(phenylcarbamoylamino)pentanamide Openeye Name: 1-[(1S)-4-guanidino-1-(hydroxycarbamoyl)butyl]-3-phenyl-urea CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]-5-(diaminomethylideneamino)-N-hydroxypentanamide IUPAC Name: (2S)-5-(diaminomethylideneamino)-N-hydroxy-2-(phenylcarbamoylamino)pentanamide Traditional Name: 1-[(1S)-4-guanidino-1-(hydroxycarbamoyl)butyl]-3-phenyl-urea Formula: C13H20N6O3 MolecularWeight: 308.3363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)NC(CCCN=C(N)N)C(=O)NO

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)N[C@@H](CCCN=C(N)N)C(=O)NO

InChI

InChI=1S/C13H20N6O3/c14-12(15)16-8-4-7-10(11(20)19-22)18-13(21)17-9-5-2-1-3-6-9/h1-3,5-6,10,22H,4,7-8H2,(H,19,20)(H4,14,15,16)(H2,17,18,21)/t10-/m0/s1