[1-(phenylmethyl)piperidin-3-yl] 1-[2-[(1-ethoxy-3-heptylsulfanyl-1-oxidanylidene-propan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: [1-(phenylmethyl)piperidin-3-yl] 1-[2-[(1-ethoxy-3-heptylsulfanyl-1-oxidanylidene-propan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylate Openeye Name: (1-benzyl-3-piperidyl) 1-[2-[[2-ethoxy-1-(heptylsulfanylmethyl)-2-oxo-ethyl]amino]propanoyl]pyrrolidine-2-carboxylate CAS Name: 1-[2-[[1-ethoxy-3-(heptylthio)-1-oxopropan-2-yl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid [1-(phenylmethyl)-3-piperidinyl] ester IUPAC Name: (1-benzylpiperidin-3-yl) 1-[2-[(1-ethoxy-3-heptylsulfanyl-1-oxopropan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[2-[[2-ethoxy-1-[(heptylthio)methyl]-2-keto-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid (1-benzyl-3-piperidyl) ester Formula: C32H51N3O5S MolecularWeight: 589.82944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSCC(C(=O)OCC)NC(C)C(=O)N1CCCC1C(=O)OC2CCCN(C2)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCSCC(C(=O)OCC)NC(C)C(=O)N1CCCC1C(=O)OC2CCCN(C2)CC3=CC=CC=C3

InChI

InChI=1S/C32H51N3O5S/c1-4-6-7-8-12-21-41-24-28(31(37)39-5-2)33-25(3)30(36)35-20-14-18-29(35)32(38)40-27-17-13-19-34(23-27)22-26-15-10-9-11-16-26/h9-11,15-16,25,27-29,33H,4-8,12-14,17-24H2,1-3H3