(2S)-N-ethyl-2-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]ethanoylamino]propanamide

Systemtic Name: (2S)-N-ethyl-2-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]ethanoylamino]propanamide Openeye Name: (2S)-N-ethyl-2-[[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetyl]amino]propanamide CAS Name: (2S)-N-ethyl-2-[[2-[methyl-[[4-(methylthio)phenyl]methyl]amino]-1-oxoethyl]amino]propanamide IUPAC Name: (2S)-N-ethyl-2-[[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetyl]amino]propanamide Traditional Name: (2S)-N-ethyl-2-[[2-[methyl-[4-(methylthio)benzyl]amino]acetyl]amino]propionamide Formula: C16H25N3O2S MolecularWeight: 323.4536

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)NC(=O)CN(C)CC1=CC=C(C=C1)SC

Isomeric SMILES

CCNC(=O)[C@H](C)NC(=O)CN(C)CC1=CC=C(C=C1)SC

InChI

InChI=1S/C16H25N3O2S/c1-5-17-16(21)12(2)18-15(20)11-19(3)10-13-6-8-14(22-4)9-7-13/h6-9,12H,5,10-11H2,1-4H3,(H,17,21)(H,18,20)/t12-/m0/s1