methyl (2S)-2-[[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-(phenylcarbonyl)amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-(phenylcarbonyl)amino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[benzoyl-[1-(1H-imidazol-5-ylmethyl)-4-piperidyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[benzoyl-[1-(1H-imidazol-5-ylmethyl)-4-piperidinyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[benzoyl-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[benzoyl-[1-(1H-imidazol-5-ylmethyl)-4-piperidyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C22H30N4O3S MolecularWeight: 430.5636

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)N(C1CCN(CC1)CC2=CN=CN2)C(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CCSC)N(C1CCN(CC1)CC2=CN=CN2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H30N4O3S/c1-29-22(28)20(10-13-30-2)26(21(27)17-6-4-3-5-7-17)19-8-11-25(12-9-19)15-18-14-23-16-24-18/h3-7,14,16,19-20H,8-13,15H2,1-2H3,(H,23,24)/t20-/m0/s1