methyl (2S)-4-methylsulfanyl-2-[[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]carbonylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]carbonylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[(3S)-1-(2-thienylsulfonyl)piperidine-3-carbonyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-[(3S)-1-thiophen-2-ylsulfonyl-3-piperidinyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[[(3S)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[[(3S)-1-(2-thienylsulfonyl)nipecotoyl]amino]butyric acid methyl ester Formula: C16H24N2O5S3 MolecularWeight: 420.56716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CS2

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C16H24N2O5S3/c1-23-16(20)13(7-10-24-2)17-15(19)12-5-3-8-18(11-12)26(21,22)14-6-4-9-25-14/h4,6,9,12-13H,3,5,7-8,10-11H2,1-2H3,(H,17,19)/t12-,13-/m0/s1