prop-2-enyl 4-[(2-methylpropan-2-yl)oxycarbonylsulfanyl]-2-[[2-naphthalen-1-ylethyl(2-pyridin-3-ylethanoyl)amino]methyl]pyrrolidine-1-carboxylate

Systemtic Name: prop-2-enyl 4-[(2-methylpropan-2-yl)oxycarbonylsulfanyl]-2-[[2-naphthalen-1-ylethyl(2-pyridin-3-ylethanoyl)amino]methyl]pyrrolidine-1-carboxylate Openeye Name: allyl 4-tert-butoxycarbonylsulfanyl-2-[[2-(1-naphthyl)ethyl-[2-(3-pyridyl)acetyl]amino]methyl]pyrrolidine-1-carboxylate CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]thio]-2-[[2-(1-naphthalenyl)ethyl-[1-oxo-2-(3-pyridinyl)ethyl]amino]methyl]-1-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-[(2-methylpropan-2-yl)oxycarbonylsulfanyl]-2-[[2-naphthalen-1-ylethyl-(2-pyridin-3-ylacetyl)amino]methyl]pyrrolidine-1-carboxylate Traditional Name: 4-(tert-butoxycarbonylthio)-2-[[2-(1-naphthyl)ethyl-[2-(3-pyridyl)acetyl]amino]methyl]pyrrolidine-1-carboxylic acid allyl ester Formula: C33H39N3O5S MolecularWeight: 589.74486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)SC1CC(N(C1)C(=O)OCC=C)CN(CCC2=CC=CC3=CC=CC=C32)C(=O)CC4=CN=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)SC1CC(N(C1)C(=O)OCC=C)CN(CCC2=CC=CC3=CC=CC=C32)C(=O)CC4=CN=CC=C4

InChI

InChI=1S/C33H39N3O5S/c1-5-18-40-31(38)36-23-28(42-32(39)41-33(2,3)4)20-27(36)22-35(30(37)19-24-10-9-16-34-21-24)17-15-26-13-8-12-25-11-6-7-14-29(25)26/h5-14,16,21,27-28H,1,15,17-20,22-23H2,2-4H3