methyl 4-[(3-azanyl-4-cyclohexyl-2-oxidanyl-butanoyl)amino]thiophene-3-carboxylate hydrochloride

Systemtic Name: methyl 4-[(3-azanyl-4-cyclohexyl-2-oxidanyl-butanoyl)amino]thiophene-3-carboxylate hydrochloride Openeye Name: methyl 4-[(3-amino-4-cyclohexyl-2-hydroxy-butanoyl)amino]thiophene-3-carboxylate hydrochloride CAS Name: 4-[(3-amino-4-cyclohexyl-2-hydroxy-1-oxobutyl)amino]-3-thiophenecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 4-[(3-amino-4-cyclohexyl-2-hydroxybutanoyl)amino]thiophene-3-carboxylate hydrochloride Traditional Name: 4-[(3-amino-4-cyclohexyl-2-hydroxy-butanoyl)amino]thiophene-3-carboxylic acid methyl ester hydrochloride Formula: C16H25ClN2O4S MolecularWeight: 376.8987

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CSC=C1NC(=O)C(C(CC2CCCCC2)N)O.Cl

Isomeric SMILES

COC(=O)C1=CSC=C1NC(=O)C(C(CC2CCCCC2)N)O.Cl

InChI

InChI=1S/C16H24N2O4S.ClH/c1-22-16(21)11-8-23-9-13(11)18-15(20)14(19)12(17)7-10-5-3-2-4-6-10;/h8-10,12,14,19H,2-7,17H2,1H3,(H,18,20);1H