5-[bis(azanyl)methylideneamino]-2-(phenylmethoxycarbonylamino)pentanoic acid hydrate

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-(phenylmethoxycarbonylamino)pentanoic acid hydrate Openeye Name: 2-(benzyloxycarbonylamino)-5-guanidino-pentanoic acid hydrate CAS Name: 5-(diaminomethylideneamino)-2-(phenylmethoxycarbonylamino)pentanoic acid hydrate IUPAC Name: 5-(diaminomethylideneamino)-2-(phenylmethoxycarbonylamino)pentanoic acid hydrate Traditional Name: 2-(benzyloxycarbonylamino)-5-guanidino-valeric acid hydrate Formula: C14H22N4O5 MolecularWeight: 326.34828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCCN=C(N)N)C(=O)O.O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CCCN=C(N)N)C(=O)O.O

InChI

InChI=1S/C14H20N4O4.H2O/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);1H2