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

Systemtic Name: ethyl 2-[3-azanyl-4-(butanoylamino)-2-oxidanyl-cyclohexyl]-2-methyl-propanoate Openeye Name: ethyl 2-[3-amino-4-(butanoylamino)-2-hydroxy-cyclohexyl]-2-methyl-propanoate CAS Name: 2-[3-amino-2-hydroxy-4-(1-oxobutylamino)cyclohexyl]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[3-amino-4-(butanoylamino)-2-hydroxycyclohexyl]-2-methylpropanoate Traditional Name: 2-(3-amino-4-butyramido-2-hydroxy-cyclohexyl)-2-methyl-propionic acid ethyl ester Formula: C16H30N2O4 MolecularWeight: 314.4204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1CCC(C(C1N)O)C(C)(C)C(=O)OCC

Isomeric SMILES

CCCC(=O)NC1CCC(C(C1N)O)C(C)(C)C(=O)OCC

InChI

InChI=1S/C16H30N2O4/c1-5-7-12(19)18-11-9-8-10(14(20)13(11)17)16(3,4)15(21)22-6-2/h10-11,13-14,20H,5-9,17H2,1-4H3,(H,18,19)