(phenylmethyl) 3,7-bis(azanyl)-2-oxidanyl-heptanoate hydrochloride

Systemtic Name: (phenylmethyl) 3,7-bis(azanyl)-2-oxidanyl-heptanoate hydrochloride Openeye Name: benzyl 3,7-diamino-2-hydroxy-heptanoate hydrochloride CAS Name: 3,7-diamino-2-hydroxyheptanoic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl 3,7-diamino-2-hydroxyheptanoate hydrochloride Traditional Name: 3,7-diamino-2-hydroxy-enanthic acid benzyl ester hydrochloride Formula: C14H23ClN2O3 MolecularWeight: 302.79702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(C(CCCCN)N)O.Cl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(C(CCCCN)N)O.Cl

InChI

InChI=1S/C14H22N2O3.ClH/c15-9-5-4-8-12(16)13(17)14(18)19-10-11-6-2-1-3-7-11;/h1-3,6-7,12-13,17H,4-5,8-10,15-16H2;1H