(phenylmethyl) 2-[[2-sulfanyl-2-(sulfanylmethyl)pentanoyl]amino]cyclohexane-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[[2-sulfanyl-2-(sulfanylmethyl)pentanoyl]amino]cyclohexane-1-carboxylate Openeye Name: benzyl 2-[[2-sulfanyl-2-(sulfanylmethyl)pentanoyl]amino]cyclohexanecarboxylate CAS Name: 2-[[2-mercapto-2-(mercaptomethyl)-1-oxopentyl]amino]-1-cyclohexanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-sulfanyl-2-(sulfanylmethyl)pentanoyl]amino]cyclohexane-1-carboxylate Traditional Name: 2-[[2-mercapto-2-(mercaptomethyl)pentanoyl]amino]cyclohexanecarboxylic acid benzyl ester Formula: C20H29NO3S2 MolecularWeight: 395.57916

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CS)(C(=O)NC1CCCCC1C(=O)OCC2=CC=CC=C2)S

Isomeric SMILES

CCCC(CS)(C(=O)NC1CCCCC1C(=O)OCC2=CC=CC=C2)S

InChI

InChI=1S/C20H29NO3S2/c1-2-12-20(26,14-25)19(23)21-17-11-7-6-10-16(17)18(22)24-13-15-8-4-3-5-9-15/h3-5,8-9,16-17,25-26H,2,6-7,10-14H2,1H3,(H,21,23)