5-[methyl-[2-(phenylmethylsulfanyl)ethyl]amino]-N-propyl-4-(2-sulfanylethanoylamino)pentanamide

Systemtic Name: 5-[methyl-[2-(phenylmethylsulfanyl)ethyl]amino]-N-propyl-4-(2-sulfanylethanoylamino)pentanamide Openeye Name: 5-[2-benzylsulfanylethyl(methyl)amino]-N-propyl-4-[(2-sulfanylacetyl)amino]pentanamide CAS Name: 4-[(2-mercapto-1-oxoethyl)amino]-5-[methyl-[2-(phenylmethylthio)ethyl]amino]-N-propylpentanamide IUPAC Name: 5-[2-benzylsulfanylethyl(methyl)amino]-N-propyl-4-[(2-sulfanylacetyl)amino]pentanamide Traditional Name: 5-[2-(benzylthio)ethyl-methyl-amino]-4-[(2-mercaptoacetyl)amino]-N-propyl-valeramide Formula: C20H33N3O2S2 MolecularWeight: 411.62492

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CCC(CN(C)CCSCC1=CC=CC=C1)NC(=O)CS

Isomeric SMILES

CCCNC(=O)CCC(CN(C)CCSCC1=CC=CC=C1)NC(=O)CS

InChI

InChI=1S/C20H33N3O2S2/c1-3-11-21-19(24)10-9-18(22-20(25)15-26)14-23(2)12-13-27-16-17-7-5-4-6-8-17/h4-8,18,26H,3,9-16H2,1-2H3,(H,21,24)(H,22,25)