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

Systemtic Name: methyl 5-[bis(azanyl)methylideneamino]-2-(phenylmethoxycarbonylamino)pentanoate hydrochloride Openeye Name: methyl 2-(benzyloxycarbonylamino)-5-guanidino-pentanoate hydrochloride CAS Name: 5-(diaminomethylideneamino)-2-(phenylmethoxycarbonylamino)pentanoic acid methyl ester hydrochloride IUPAC Name: methyl 5-(diaminomethylideneamino)-2-(phenylmethoxycarbonylamino)pentanoate hydrochloride Traditional Name: 2-(benzyloxycarbonylamino)-5-guanidino-valeric acid methyl ester hydrochloride Formula: C15H23ClN4O4 MolecularWeight: 358.82052

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCN=C(N)N)NC(=O)OCC1=CC=CC=C1.Cl

Isomeric SMILES

COC(=O)C(CCCN=C(N)N)NC(=O)OCC1=CC=CC=C1.Cl

InChI

InChI=1S/C15H22N4O4.ClH/c1-22-13(20)12(8-5-9-18-14(16)17)19-15(21)23-10-11-6-3-2-4-7-11;/h2-4,6-7,12H,5,8-10H2,1H3,(H,19,21)(H4,16,17,18);1H