methyl 4-methyl-2-(3-phenylsulfanylpropanoylamino)pentanoate

Systemtic Name: methyl 4-methyl-2-(3-phenylsulfanylpropanoylamino)pentanoate Openeye Name: methyl 4-methyl-2-(3-phenylsulfanylpropanoylamino)pentanoate CAS Name: 4-methyl-2-[[1-oxo-3-(phenylthio)propyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 4-methyl-2-(3-phenylsulfanylpropanoylamino)pentanoate Traditional Name: 4-methyl-2-[3-(phenylthio)propanoylamino]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)CCSC1=CC=CC=C1

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)CCSC1=CC=CC=C1

InChI

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