ethyl 2-[3-azanyl-4-(butanoylamino)-2-oxidanyl-cyclohexyl]-3-oxidanyl-propanoate hydrochloride

Systemtic Name: ethyl 2-[3-azanyl-4-(butanoylamino)-2-oxidanyl-cyclohexyl]-3-oxidanyl-propanoate hydrochloride Openeye Name: ethyl 2-[3-amino-4-(butanoylamino)-2-hydroxy-cyclohexyl]-3-hydroxy-propanoate hydrochloride CAS Name: 2-[3-amino-2-hydroxy-4-(1-oxobutylamino)cyclohexyl]-3-hydroxypropanoic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-[3-amino-4-(butanoylamino)-2-hydroxycyclohexyl]-3-hydroxypropanoate hydrochloride Traditional Name: 2-(3-amino-4-butyramido-2-hydroxy-cyclohexyl)-3-hydroxy-propionic acid ethyl ester hydrochloride Formula: C15H29ClN2O5 MolecularWeight: 352.85416

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1CCC(C(C1N)O)C(CO)C(=O)OCC.Cl

Isomeric SMILES

CCCC(=O)NC1CCC(C(C1N)O)C(CO)C(=O)OCC.Cl

InChI

InChI=1S/C15H28N2O5.ClH/c1-3-5-12(19)17-11-7-6-9(14(20)13(11)16)10(8-18)15(21)22-4-2;/h9-11,13-14,18,20H,3-8,16H2,1-2H3,(H,17,19);1H