methyl 5-[methyl-[2-(phenylmethylsulfanyl)ethyl]amino]-4-(2-sulfanylethanoylamino)pentanoate

Systemtic Name: methyl 5-[methyl-[2-(phenylmethylsulfanyl)ethyl]amino]-4-(2-sulfanylethanoylamino)pentanoate Openeye Name: methyl 5-[2-benzylsulfanylethyl(methyl)amino]-4-[(2-sulfanylacetyl)amino]pentanoate CAS Name: 4-[(2-mercapto-1-oxoethyl)amino]-5-[methyl-[2-(phenylmethylthio)ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 5-[2-benzylsulfanylethyl(methyl)amino]-4-[(2-sulfanylacetyl)amino]pentanoate Traditional Name: 5-[2-(benzylthio)ethyl-methyl-amino]-4-[(2-mercaptoacetyl)amino]valeric acid methyl ester Formula: C18H28N2O3S2 MolecularWeight: 384.55652

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCSCC1=CC=CC=C1)CC(CCC(=O)OC)NC(=O)CS

Isomeric SMILES

CN(CCSCC1=CC=CC=C1)CC(CCC(=O)OC)NC(=O)CS

InChI

InChI=1S/C18H28N2O3S2/c1-20(10-11-25-14-15-6-4-3-5-7-15)12-16(19-17(21)13-24)8-9-18(22)23-2/h3-7,16,24H,8-14H2,1-2H3,(H,19,21)