methyl (2S,3S)-3-methyl-2-(2-phenylsulfanylethanoylamino)pentanoate

Systemtic Name: methyl (2S,3S)-3-methyl-2-(2-phenylsulfanylethanoylamino)pentanoate Openeye Name: methyl (2S,3S)-3-methyl-2-[(2-phenylsulfanylacetyl)amino]pentanoate CAS Name: (2S,3S)-3-methyl-2-[[1-oxo-2-(phenylthio)ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S,3S)-3-methyl-2-[(2-phenylsulfanylacetyl)amino]pentanoate Traditional Name: (2S,3S)-3-methyl-2-[[2-(phenylthio)acetyl]amino]valeric acid methyl ester Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CSC1=CC=CC=C1

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OC)NC(=O)CSC1=CC=CC=C1

InChI

InChI=1S/C15H21NO3S/c1-4-11(2)14(15(18)19-3)16-13(17)10-20-12-8-6-5-7-9-12/h5-9,11,14H,4,10H2,1-3H3,(H,16,17)/t11-,14-/m0/s1