2-[[2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-3-hydroxy-propanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-3-hydroxy-1-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-3-hydroxypropanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-3-hydroxy-propanoyl]amino]-4-methyl-valeric acid Formula: C22H31NO6 MolecularWeight: 405.48464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(C1=CC2=C(C=C1)OCO2)C(C3CCCCC3)O

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(C1=CC2=C(C=C1)OCO2)C(C3CCCCC3)O

InChI

InChI=1S/C22H31NO6/c1-13(2)10-16(22(26)27)23-21(25)19(20(24)14-6-4-3-5-7-14)15-8-9-17-18(11-15)29-12-28-17/h8-9,11,13-14,16,19-20,24H,3-7,10,12H2,1-2H3,(H,23,25)(H,26,27)