N-[(2S)-4-methyl-1-(2-morpholin-4-ylethylamino)-1-oxidanylidene-pentan-2-yl]-2-(2-sulfanylethanoyl)nonanamide

Systemtic Name: N-[(2S)-4-methyl-1-(2-morpholin-4-ylethylamino)-1-oxidanylidene-pentan-2-yl]-2-(2-sulfanylethanoyl)nonanamide Openeye Name: N-[(1S)-3-methyl-1-(2-morpholinoethylcarbamoyl)butyl]-2-(2-sulfanylacetyl)nonanamide CAS Name: 2-(2-mercapto-1-oxoethyl)-N-[(2S)-4-methyl-1-[2-(4-morpholinyl)ethylamino]-1-oxopentan-2-yl]nonanamide IUPAC Name: N-[(2S)-4-methyl-1-(2-morpholin-4-ylethylamino)-1-oxopentan-2-yl]-2-(2-sulfanylacetyl)nonanamide Traditional Name: 2-(2-mercaptoacetyl)-N-[(1S)-3-methyl-1-(2-morpholinoethylcarbamoyl)butyl]pelargonamide Formula: C23H43N3O4S MolecularWeight: 457.67022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C(=O)CS)C(=O)NC(CC(C)C)C(=O)NCCN1CCOCC1

Isomeric SMILES

CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NCCN1CCOCC1

InChI

InChI=1S/C23H43N3O4S/c1-4-5-6-7-8-9-19(21(27)17-31)22(28)25-20(16-18(2)3)23(29)24-10-11-26-12-14-30-15-13-26/h18-20,31H,4-17H2,1-3H3,(H,24,29)(H,25,28)/t19?,20-/m0/s1