methyl 2-(dimethoxymethyl)-4-ethoxycarbothioylsulfanyl-5-[(2-methylpropan-2-yl)oxycarbonyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]pentanoate

Systemtic Name: methyl 2-(dimethoxymethyl)-4-ethoxycarbothioylsulfanyl-5-[(2-methylpropan-2-yl)oxycarbonyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]pentanoate Openeye Name: methyl 5-[tert-butoxycarbonyl-(tert-butoxycarbonylamino)amino]-2-(dimethoxymethyl)-4-ethoxycarbothioylsulfanyl-pentanoate CAS Name: 2-(dimethoxymethyl)-4-[[ethoxy(sulfanylidene)methyl]thio]-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]amino]pentanoic acid methyl ester IUPAC Name: methyl 2-(dimethoxymethyl)-4-ethoxycarbothioylsulfanyl-5-[(2-methylpropan-2-yl)oxycarbonyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]pentanoate Traditional Name: 5-[tert-butoxycarbonyl-(tert-butoxycarbonylamino)amino]-2-(dimethoxymethyl)-4-(ethoxycarbothioylthio)valeric acid methyl ester Formula: C22H40N2O9S2 MolecularWeight: 540.691

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC(CC(C(OC)OC)C(=O)OC)CN(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=S)SC(CC(C(OC)OC)C(=O)OC)CN(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H40N2O9S2/c1-11-31-20(34)35-14(12-15(16(25)28-8)17(29-9)30-10)13-24(19(27)33-22(5,6)7)23-18(26)32-21(2,3)4/h14-15,17H,11-13H2,1-10H3,(H,23,26)