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

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

Systemtic Name:N-[(2S)-4-methyl-1-oxidanylidene-1-(phenethylamino)pentan-2-yl]-2-(1-oxidanyl-2-sulfanyl-ethyl)nonanamide
Openeye Name:2-(1-hydroxy-2-sulfanyl-ethyl)-N-[(1S)-3-methyl-1-(phenethylcarbamoyl)butyl]nonanamide
CAS Name:2-(1-hydroxy-2-mercaptoethyl)-N-[(2S)-4-methyl-1-oxo-1-(phenethylamino)pentan-2-yl]nonanamide
IUPAC Name:2-(1-hydroxy-2-sulfanylethyl)-N-[(2S)-4-methyl-1-oxo-1-(phenethylamino)pentan-2-yl]nonanamide
Traditional Name:2-(1-hydroxy-2-mercapto-ethyl)-N-[(1S)-3-methyl-1-(phenethylcarbamoyl)butyl]pelargonamide
Formula: C25H42N2O3S
MolecularWeight: 450.67758
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C25H42N2O3S/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/h8-10,12-13,19,21-23,28,31H,4-7,11,14-18H2,1-3H3,(H,26,30)(H,27,29)/t21?,22-,23?/m0/s1


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