methyl 2-[[4-[2-(4-methylsulfanylphenyl)ethanoylamino]piperidin-4-yl]carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[[4-[2-(4-methylsulfanylphenyl)ethanoylamino]piperidin-4-yl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl 3-hydroxy-2-[[4-[[2-(4-methylsulfanylphenyl)acetyl]amino]piperidine-4-carbonyl]amino]propanoate CAS Name: 3-hydroxy-2-[[[4-[[2-[4-(methylthio)phenyl]-1-oxoethyl]amino]-4-piperidinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[[4-[[2-(4-methylsulfanylphenyl)acetyl]amino]piperidine-4-carbonyl]amino]propanoate Traditional Name: 3-hydroxy-2-[[4-[[2-[4-(methylthio)phenyl]acetyl]amino]isonipecotoyl]amino]propionic acid methyl ester Formula: C19H27N3O5S MolecularWeight: 409.49978

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C1(CCNCC1)NC(=O)CC2=CC=C(C=C2)SC

Isomeric SMILES

COC(=O)C(CO)NC(=O)C1(CCNCC1)NC(=O)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C19H27N3O5S/c1-27-17(25)15(12-23)21-18(26)19(7-9-20-10-8-19)22-16(24)11-13-3-5-14(28-2)6-4-13/h3-6,15,20,23H,7-12H2,1-2H3,(H,21,26)(H,22,24)