[4-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enoxycarbonyl-amino]-2-[[4-(triphenylmethyl)sulfanylpyrrolidin-2-yl]methyl]butyl] methanesulfonate

Systemtic Name: [4-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enoxycarbonyl-amino]-2-[[4-(triphenylmethyl)sulfanylpyrrolidin-2-yl]methyl]butyl] methanesulfonate Openeye Name: [4-[allyloxycarbonyl(tert-butoxycarbonyl)amino]-2-[(4-tritylsulfanylpyrrolidin-2-yl)methyl]butyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[(2-methylpropan-2-yl)oxy-oxomethyl]-[oxo(prop-2-enoxy)methyl]amino]-2-[[4-[(triphenylmethyl)thio]-2-pyrrolidinyl]methyl]butyl] ester IUPAC Name: [4-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enoxycarbonylamino]-2-[(4-tritylsulfanylpyrrolidin-2-yl)methyl]butyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[allyloxycarbonyl(tert-butoxycarbonyl)amino]-2-[[4-(tritylthio)pyrrolidin-2-yl]methyl]butyl] ester Formula: C38H48N2O7S2 MolecularWeight: 708.92692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCC(CC1CC(CN1)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)COS(=O)(=O)C)C(=O)OCC=C

Isomeric SMILES

CC(C)(C)OC(=O)N(CCC(CC1CC(CN1)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)COS(=O)(=O)C)C(=O)OCC=C

InChI

InChI=1S/C38H48N2O7S2/c1-6-24-45-35(41)40(36(42)47-37(2,3)4)23-22-29(28-46-49(5,43)44)25-33-26-34(27-39-33)48-38(30-16-10-7-11-17-30,31-18-12-8-13-19-31)32-20-14-9-15-21-32/h6-21,29,33-34,39H,1,22-28H2,2-5H3