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

Systemtic Name: (2S)-2-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]ethanoylamino]-N-propyl-propanamide Openeye Name: (2S)-2-[[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetyl]amino]-N-propyl-propanamide CAS Name: (2S)-2-[[2-[methyl-[[4-(methylthio)phenyl]methyl]amino]-1-oxoethyl]amino]-N-propylpropanamide IUPAC Name: (2S)-2-[[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetyl]amino]-N-propylpropanamide Traditional Name: (2S)-2-[[2-[methyl-[4-(methylthio)benzyl]amino]acetyl]amino]-N-propyl-propionamide Formula: C17H27N3O2S MolecularWeight: 337.48018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O2S/c1-5-10-18-17(22)13(2)19-16(21)12-20(3)11-14-6-8-15(23-4)9-7-14/h6-9,13H,5,10-12H2,1-4H3,(H,18,22)(H,19,21)/t13-/m0/s1