tert-butyl 4-acetamido-5-[8-(2-methylsulfanylpyridin-3-yl)carbonyl-3,8-diazaspiro[4.5]decan-3-yl]-5-oxidanylidene-pentanoate

Systemtic Name: tert-butyl 4-acetamido-5-[8-(2-methylsulfanylpyridin-3-yl)carbonyl-3,8-diazaspiro[4.5]decan-3-yl]-5-oxidanylidene-pentanoate Openeye Name: tert-butyl 4-acetamido-5-[8-(2-methylsulfanylpyridine-3-carbonyl)-3,8-diazaspiro[4.5]decan-3-yl]-5-oxo-pentanoate CAS Name: 4-acetamido-5-[8-[[2-(methylthio)-3-pyridinyl]-oxomethyl]-3,8-diazaspiro[4.5]decan-3-yl]-5-oxopentanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-acetamido-5-[8-(2-methylsulfanylpyridine-3-carbonyl)-3,8-diazaspiro[4.5]decan-3-yl]-5-oxopentanoate Traditional Name: 4-acetamido-5-keto-5-[8-[2-(methylthio)nicotinoyl]-3,8-diazaspiro[4.5]decan-3-yl]valeric acid tert-butyl ester Formula: C26H38N4O5S MolecularWeight: 518.66872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCC(=O)OC(C)(C)C)C(=O)N1CCC2(C1)CCN(CC2)C(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CC(=O)NC(CCC(=O)OC(C)(C)C)C(=O)N1CCC2(C1)CCN(CC2)C(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C26H38N4O5S/c1-18(31)28-20(8-9-21(32)35-25(2,3)4)24(34)30-16-12-26(17-30)10-14-29(15-11-26)23(33)19-7-6-13-27-22(19)36-5/h6-7,13,20H,8-12,14-17H2,1-5H3,(H,28,31)