methyl (2S)-4-methylsulfanyl-2-[phenylcarbonyl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]amino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[phenylcarbonyl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]amino]butanoate Openeye Name: methyl (2S)-2-[benzoyl-[1-(thiazol-4-ylmethyl)-4-piperidyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[benzoyl-[1-(4-thiazolylmethyl)-4-piperidinyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[benzoyl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[benzoyl-[1-(thiazol-4-ylmethyl)-4-piperidyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)N(C1CCN(CC1)CC2=CSC=N2)C(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CCSC)N(C1CCN(CC1)CC2=CSC=N2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S2/c1-28-22(27)20(10-13-29-2)25(21(26)17-6-4-3-5-7-17)19-8-11-24(12-9-19)14-18-15-30-16-23-18/h3-7,15-16,19-20H,8-14H2,1-2H3/t20-/m0/s1