(phenylmethyl) 5-[bis(azanyl)methylideneamino]-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: (phenylmethyl) 5-[bis(azanyl)methylideneamino]-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: benzyl 2-(benzyloxycarbonylamino)-5-guanidino-pentanoate CAS Name: 5-(diaminomethylideneamino)-2-(phenylmethoxycarbonylamino)pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(diaminomethylideneamino)-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: 2-(benzyloxycarbonylamino)-5-guanidino-valeric acid benzyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CCCN=C(N)N)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CCCN=C(N)N)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H26N4O4/c22-20(23)24-13-7-12-18(19(26)28-14-16-8-3-1-4-9-16)25-21(27)29-15-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2,(H,25,27)(H4,22,23,24)