phenyl N'-[(2S)-2,5-bis(azanyl)pentanoyl]-N-cyano-carbamimidate

Systemtic Name: phenyl N'-[(2S)-2,5-bis(azanyl)pentanoyl]-N-cyano-carbamimidate Openeye Name: (2S)-2,5-diamino-N-[(cyanoamino)-phenoxy-methylene]pentanamide CAS Name: N-cyano-N'-[(2S)-2,5-diamino-1-oxopentyl]carbamimidic acid phenyl ester IUPAC Name: phenyl N-cyano-N'-[(2S)-2,5-diaminopentanoyl]carbamimidate Traditional Name: (2S)-2,5-diamino-N-[(cyanoamino)-phenoxy-methylene]valeramide Formula: C13H17N5O2 MolecularWeight: 275.30638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=NC(=O)C(CCCN)N)NC#N

Isomeric SMILES

C1=CC=C(C=C1)OC(=NC(=O)[C@H](CCCN)N)NC#N

InChI

InChI=1S/C13H17N5O2/c14-8-4-7-11(16)12(19)18-13(17-9-15)20-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-8,14,16H2,(H,17,18,19)/t11-/m0/s1