5-[bis(azanyl)methylideneazaniumyl]-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: 5-[bis(azanyl)methylideneazaniumyl]-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: 2-(benzyloxycarbonylamino)-5-(diaminomethyleneammonio)pentanoate CAS Name: 5-(diaminomethylideneammonio)-2-(phenylmethoxycarbonylamino)pentanoate IUPAC Name: 5-(diaminomethylideneazaniumyl)-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: 2-(benzyloxycarbonylamino)-5-(diaminomethyleneammonio)valerate Formula: C14H20N4O4 MolecularWeight: 308.333

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCC[NH+]=C(N)N)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CCC[NH+]=C(N)N)C(=O)[O-]

InChI

InChI=1S/C14H20N4O4/c15-13(16)17-8-4-7-11(12(19)20)18-14(21)22-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,18,21)(H,19,20)(H4,15,16,17)