(phenylmethyl) 2-[3-azanyl-1-(butanoylamino)-2-oxidanyl-cyclohexyl]propanoate hydrochloride

Systemtic Name: (phenylmethyl) 2-[3-azanyl-1-(butanoylamino)-2-oxidanyl-cyclohexyl]propanoate hydrochloride Openeye Name: benzyl 2-[3-amino-1-(butanoylamino)-2-hydroxy-cyclohexyl]propanoate hydrochloride CAS Name: 2-[3-amino-2-hydroxy-1-(1-oxobutylamino)cyclohexyl]propanoic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl 2-[3-amino-1-(butanoylamino)-2-hydroxycyclohexyl]propanoate hydrochloride Traditional Name: 2-(3-amino-1-butyramido-2-hydroxy-cyclohexyl)propionic acid benzyl ester hydrochloride Formula: C20H31ClN2O4 MolecularWeight: 398.92414

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1(CCCC(C1O)N)C(C)C(=O)OCC2=CC=CC=C2.Cl

Isomeric SMILES

CCCC(=O)NC1(CCCC(C1O)N)C(C)C(=O)OCC2=CC=CC=C2.Cl

InChI

InChI=1S/C20H30N2O4.ClH/c1-3-8-17(23)22-20(12-7-11-16(21)18(20)24)14(2)19(25)26-13-15-9-5-4-6-10-15;/h4-6,9-10,14,16,18,24H,3,7-8,11-13,21H2,1-2H3,(H,22,23);1H