methyl 4-methyl-2-[2-(phenylmethylsulfanyl)ethanoylamino]pentanoate

Systemtic Name: methyl 4-methyl-2-[2-(phenylmethylsulfanyl)ethanoylamino]pentanoate Openeye Name: methyl 2-[(2-benzylsulfanylacetyl)amino]-4-methyl-pentanoate CAS Name: 4-methyl-2-[[1-oxo-2-(phenylmethylthio)ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 2-[(2-benzylsulfanylacetyl)amino]-4-methylpentanoate Traditional Name: 2-[[2-(benzylthio)acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)CSCC1=CC=CC=C1

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)CSCC1=CC=CC=C1

InChI

InChI=1S/C16H23NO3S/c1-12(2)9-14(16(19)20-3)17-15(18)11-21-10-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,17,18)