N-[(2S,3S,5R)-5-aminocarbonyl-1-cyclohexyl-7-methyl-3-oxidanyl-octan-2-yl]quinoline-3-carboxamide

Systemtic Name: N-[(2S,3S,5R)-5-aminocarbonyl-1-cyclohexyl-7-methyl-3-oxidanyl-octan-2-yl]quinoline-3-carboxamide Openeye Name: N-[(1S,2S,4R)-4-carbamoyl-1-(cyclohexylmethyl)-2-hydroxy-6-methyl-heptyl]quinoline-3-carboxamide CAS Name: N-[(2S,3S,5R)-5-carbamoyl-1-cyclohexyl-3-hydroxy-7-methyloctan-2-yl]-3-quinolinecarboxamide IUPAC Name: N-[(2S,3S,5R)-5-carbamoyl-1-cyclohexyl-3-hydroxy-7-methyloctan-2-yl]quinoline-3-carboxamide Traditional Name: N-[(1S,2S,4R)-4-carbamoyl-1-(cyclohexylmethyl)-2-hydroxy-6-methyl-heptyl]quinoline-3-carboxamide Formula: C26H37N3O3 MolecularWeight: 439.59028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(C(CC1CCCCC1)NC(=O)C2=CC3=CC=CC=C3N=C2)O)C(=O)N

Isomeric SMILES

CC(C)C[C@H](C[C@@H]([C@H](CC1CCCCC1)NC(=O)C2=CC3=CC=CC=C3N=C2)O)C(=O)N

InChI

InChI=1S/C26H37N3O3/c1-17(2)12-20(25(27)31)15-24(30)23(13-18-8-4-3-5-9-18)29-26(32)21-14-19-10-6-7-11-22(19)28-16-21/h6-7,10-11,14,16-18,20,23-24,30H,3-5,8-9,12-13,15H2,1-2H3,(H2,27,31)(H,29,32)/t20-,23+,24+/m1/s1