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

Systemtic Name: (phenylmethyl) 2-[3-azanyl-4-(butanoylamino)-2-oxidanyl-cyclohexyl]propanoate Openeye Name: benzyl 2-[3-amino-4-(butanoylamino)-2-hydroxy-cyclohexyl]propanoate CAS Name: 2-[3-amino-2-hydroxy-4-(1-oxobutylamino)cyclohexyl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-amino-4-(butanoylamino)-2-hydroxycyclohexyl]propanoate Traditional Name: 2-(3-amino-4-butyramido-2-hydroxy-cyclohexyl)propionic acid benzyl ester Formula: C20H30N2O4 MolecularWeight: 362.4632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1CCC(C(C1N)O)C(C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCC(=O)NC1CCC(C(C1N)O)C(C)C(=O)OCC2=CC=CC=C2

InChI

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