N'-[(2S,3S)-1-cyclohexyl-6-methyl-3-oxidanyl-heptan-2-yl]-N'-(1,3-thiazol-2-ylmethyl)butanediamide

Systemtic Name: N'-[(2S,3S)-1-cyclohexyl-6-methyl-3-oxidanyl-heptan-2-yl]-N'-(1,3-thiazol-2-ylmethyl)butanediamide Openeye Name: N'-[(1S,2S)-1-(cyclohexylmethyl)-2-hydroxy-5-methyl-hexyl]-N'-(thiazol-2-ylmethyl)butanediamide CAS Name: N'-[(2S,3S)-1-cyclohexyl-3-hydroxy-6-methylheptan-2-yl]-N'-(2-thiazolylmethyl)butanediamide IUPAC Name: N'-[(2S,3S)-1-cyclohexyl-3-hydroxy-6-methylheptan-2-yl]-N'-(1,3-thiazol-2-ylmethyl)butanediamide Traditional Name: N'-[(1S,2S)-1-(cyclohexylmethyl)-2-hydroxy-5-methyl-hexyl]-N'-(thiazol-2-ylmethyl)succinamide Formula: C22H37N3O3S MolecularWeight: 423.61248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C(CC1CCCCC1)N(CC2=NC=CS2)C(=O)CCC(=O)N)O

Isomeric SMILES

CC(C)CC[C@@H]([C@H](CC1CCCCC1)N(CC2=NC=CS2)C(=O)CCC(=O)N)O

InChI

InChI=1S/C22H37N3O3S/c1-16(2)8-9-19(26)18(14-17-6-4-3-5-7-17)25(15-21-24-12-13-29-21)22(28)11-10-20(23)27/h12-13,16-19,26H,3-11,14-15H2,1-2H3,(H2,23,27)/t18-,19-/m0/s1