2-[[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrimidin-5-yl]methyl]-3-ethanoylsulfanyl-propanoic acid

Systemtic Name: 2-[[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrimidin-5-yl]methyl]-3-ethanoylsulfanyl-propanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-[2-[bis(tert-butoxycarbonyl)amino]pyrimidin-5-yl]propanoic acid CAS Name: 2-[(acetylthio)methyl]-3-[2-[bis[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-pyrimidinyl]propanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrimidin-5-yl]propanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-[2-[bis(tert-butoxycarbonyl)amino]pyrimidin-5-yl]propionic acid Formula: C20H29N3O7S MolecularWeight: 455.52516

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CN=C(N=C1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC(=O)SCC(CC1=CN=C(N=C1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C20H29N3O7S/c1-12(24)31-11-14(15(25)26)8-13-9-21-16(22-10-13)23(17(27)29-19(2,3)4)18(28)30-20(5,6)7/h9-10,14H,8,11H2,1-7H3,(H,25,26)