3-azanyl-7-(cyclohexylmethylamino)-2,2,3-trimethyl-6-oxidanyl-4-oxidanylidene-5-(phenylmethyl)heptanoic acid

Systemtic Name: 3-azanyl-7-(cyclohexylmethylamino)-2,2,3-trimethyl-6-oxidanyl-4-oxidanylidene-5-(phenylmethyl)heptanoic acid Openeye Name: 3-amino-5-benzyl-7-(cyclohexylmethylamino)-6-hydroxy-2,2,3-trimethyl-4-oxo-heptanoic acid CAS Name: 3-amino-7-(cyclohexylmethylamino)-6-hydroxy-2,2,3-trimethyl-4-oxo-5-(phenylmethyl)heptanoic acid IUPAC Name: 3-amino-5-benzyl-7-(cyclohexylmethylamino)-6-hydroxy-2,2,3-trimethyl-4-oxoheptanoic acid Traditional Name: 3-amino-5-benzyl-7-(cyclohexylmethylamino)-6-hydroxy-4-keto-2,2,3-trimethyl-enanthic acid Formula: C24H38N2O4 MolecularWeight: 418.56952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)C(C)(C(=O)C(CC1=CC=CC=C1)C(CNCC2CCCCC2)O)N

Isomeric SMILES

CC(C)(C(=O)O)C(C)(C(=O)C(CC1=CC=CC=C1)C(CNCC2CCCCC2)O)N

InChI

InChI=1S/C24H38N2O4/c1-23(2,22(29)30)24(3,25)21(28)19(14-17-10-6-4-7-11-17)20(27)16-26-15-18-12-8-5-9-13-18/h4,6-7,10-11,18-20,26-27H,5,8-9,12-16,25H2,1-3H3,(H,29,30)