methyl (2S)-4-methylsulfanyl-2-[2-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylamino]ethanoylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[2-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylamino]ethanoylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[1-oxo-2-[[oxo-[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]amino]ethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]butanoate Traditional Name: (2S)-2-[[2-[[4-(2-ketopyrrolidino)benzoyl]amino]acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CNC(=O)C1=CC=C(C=C1)N2CCCC2=O

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)CNC(=O)C1=CC=C(C=C1)N2CCCC2=O

InChI

InChI=1S/C19H25N3O5S/c1-27-19(26)15(9-11-28-2)21-16(23)12-20-18(25)13-5-7-14(8-6-13)22-10-3-4-17(22)24/h5-8,15H,3-4,9-12H2,1-2H3,(H,20,25)(H,21,23)/t15-/m0/s1