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

Systemtic Name: 5-[methyl-[2-(phenylmethylsulfanyl)ethyl]amino]-4-(2-sulfanylethanoylamino)pentanoic acid Openeye Name: 5-[2-benzylsulfanylethyl(methyl)amino]-4-[(2-sulfanylacetyl)amino]pentanoic acid CAS Name: 4-[(2-mercapto-1-oxoethyl)amino]-5-[methyl-[2-(phenylmethylthio)ethyl]amino]pentanoic acid IUPAC Name: 5-[2-benzylsulfanylethyl(methyl)amino]-4-[(2-sulfanylacetyl)amino]pentanoic acid Traditional Name: 5-[2-(benzylthio)ethyl-methyl-amino]-4-[(2-mercaptoacetyl)amino]valeric acid Formula: C17H26N2O3S2 MolecularWeight: 370.52994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O3S2/c1-19(9-10-24-13-14-5-3-2-4-6-14)11-15(7-8-17(21)22)18-16(20)12-23/h2-6,15,23H,7-13H2,1H3,(H,18,20)(H,21,22)