tert-butyl 7-[3-[2,5-bis(oxidanylidene)pyrrol-1-yl]propanoylamino]-3-thiophosphorosocarbonyl-heptanoate

Systemtic Name: tert-butyl 7-[3-[2,5-bis(oxidanylidene)pyrrol-1-yl]propanoylamino]-3-thiophosphorosocarbonyl-heptanoate Openeye Name: tert-butyl 7-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-3-thiophosphorosocarbonyl-heptanoate CAS Name: 7-[[3-(2,5-dioxo-1-pyrrolyl)-1-oxopropyl]amino]-3-[oxo(thiophosphoroso)methyl]heptanoic acid tert-butyl ester IUPAC Name: tert-butyl 7-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-3-thiophosphorosocarbonylheptanoate Traditional Name: 7-(3-maleimidopropanoylamino)-3-thiophosphorosocarbonyl-enanthic acid tert-butyl ester Formula: C19H27N2O6PS MolecularWeight: 442.466241

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(CCCCNC(=O)CCN1C(=O)C=CC1=O)C(=O)P=S

Isomeric SMILES

CC(C)(C)OC(=O)CC(CCCCNC(=O)CCN1C(=O)C=CC1=O)C(=O)P=S

InChI

InChI=1S/C19H27N2O6PS/c1-19(2,3)27-17(25)12-13(18(26)28-29)6-4-5-10-20-14(22)9-11-21-15(23)7-8-16(21)24/h7-8,13H,4-6,9-12H2,1-3H3,(H,20,22)