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

Systemtic Name: N-[(2S)-4-methyl-1-oxidanylidene-1-(phenethylamino)pentan-2-yl]-2-(2-sulfanylethanoyl)nonanamide Openeye Name: N-[(1S)-3-methyl-1-(phenethylcarbamoyl)butyl]-2-(2-sulfanylacetyl)nonanamide CAS Name: 2-(2-mercapto-1-oxoethyl)-N-[(2S)-4-methyl-1-oxo-1-(phenethylamino)pentan-2-yl]nonanamide IUPAC Name: N-[(2S)-4-methyl-1-oxo-1-(phenethylamino)pentan-2-yl]-2-(2-sulfanylacetyl)nonanamide Traditional Name: 2-(2-mercaptoacetyl)-N-[(1S)-3-methyl-1-(phenethylcarbamoyl)butyl]pelargonamide Formula: C25H40N2O3S MolecularWeight: 448.6617

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C(=O)CS)C(=O)NC(CC(C)C)C(=O)NCCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NCCC1=CC=CC=C1

InChI

InChI=1S/C25H40N2O3S/c1-4-5-6-7-11-14-21(23(28)18-31)24(29)27-22(17-19(2)3)25(30)26-16-15-20-12-9-8-10-13-20/h8-10,12-13,19,21-22,31H,4-7,11,14-18H2,1-3H3,(H,26,30)(H,27,29)/t21?,22-/m0/s1