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

Systemtic Name: N-[(2S)-4-methyl-1-oxidanylidene-1-phenylazanyl-pentan-2-yl]-2-(2-sulfanylethanoyl)nonanamide Openeye Name: N-[(1S)-3-methyl-1-(phenylcarbamoyl)butyl]-2-(2-sulfanylacetyl)nonanamide CAS Name: N-[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]-2-(2-mercapto-1-oxoethyl)nonanamide IUPAC Name: N-[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]-2-(2-sulfanylacetyl)nonanamide Traditional Name: 2-(2-mercaptoacetyl)-N-[(1S)-3-methyl-1-(phenylcarbamoyl)butyl]pelargonamide Formula: C23H36N2O3S MolecularWeight: 420.60854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C(=O)CS)C(=O)NC(CC(C)C)C(=O)NC1=CC=CC=C1

Isomeric SMILES

CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NC1=CC=CC=C1

InChI

InChI=1S/C23H36N2O3S/c1-4-5-6-7-11-14-19(21(26)16-29)22(27)25-20(15-17(2)3)23(28)24-18-12-9-8-10-13-18/h8-10,12-13,17,19-20,29H,4-7,11,14-16H2,1-3H3,(H,24,28)(H,25,27)/t19?,20-/m0/s1