[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl] (2R)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2R)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] (2R)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-ureido-butyric acid [2-(4-benzylpiperidino)-2-keto-ethyl] ester Formula: C20H29N3O4S MolecularWeight: 407.52696

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)N1CCC(CC1)CC2=CC=CC=C2)NC(=O)N

Isomeric SMILES

CSCC[C@H](C(=O)OCC(=O)N1CCC(CC1)CC2=CC=CC=C2)NC(=O)N

InChI

InChI=1S/C20H29N3O4S/c1-28-12-9-17(22-20(21)26)19(25)27-14-18(24)23-10-7-16(8-11-23)13-15-5-3-2-4-6-15/h2-6,16-17H,7-14H2,1H3,(H3,21,22,26)/t17-/m1/s1