About 2-[2-[[[2-[2,2-dimethyl-4-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-oxo-1H-pyrrol-3-yl]acetyl]amino]methyl]-1,3-thiazol-4-yl]-N-propyl-1,3-thiazole-4-carboxamide;6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-7-[4-[4-[4-[5-[methyl-[5-[2-[2-[4-[6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-methylidene-4-azaspiro[2.4]hept-6-en-7-yl]-3-oxobutyl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-5-oxopentyl]amino]pentanoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-2-oxobutyl]-4-azaspiro[2.4]hept-6-en-5-one;2-[2-[[[2-[6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl]acetyl]amino]methyl]-1,3-thiazol-4-yl]-N-propyl-1,3-thiazole-4-carboxamide;N-methyl-2-[2-[[[2-[6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl]acetyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxamide
2-[2-[[[2-[2,2-dimethyl-4-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-oxo-1H-pyrrol-3-yl]acetyl]amino]methyl]-1,3-thiazol-4-yl]-N-propyl-1,3-thiazole-4-carboxamide;6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-7-[4-[4-[4-[5-[methyl-[5-[2-[2-[4-[6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-methylidene-4-azaspiro[2.4]hept-6-en-7-yl]-3-oxobutyl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-5-oxopentyl]amino]pentanoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-2-oxobutyl]-4-azaspiro[2.4]hept-6-en-5-one;2-[2-[[[2-[6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl]acetyl]amino]methyl]-1,3-thiazol-4-yl]-N-propyl-1,3-thiazole-4-carboxamide;N-methyl-2-[2-[[[2-[6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl]acetyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 159234827) has the molecular formula C124H145N27O14S10
and a molecular weight of 2558.37 g/mol. Its IUPAC name is 2-[2-[[[2-[2,2-dimethyl-4-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-oxo-1H-pyrrol-3-yl]acetyl]amino]methyl]-1,3-thiazol-4-yl]-N-propyl-1,3-thiazole-4-carboxamide;6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-7-[4-[4-[4-[5-[methyl-[5-[2-[2-[4-[6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-methylidene-4-azaspiro[2.4]hept-6-en-7-yl]-3-oxobutyl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-5-oxopentyl]amino]pentanoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-2-oxobutyl]-4-azaspiro[2.4]hept-6-en-5-one;2-[2-[[[2-[6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl]acetyl]amino]methyl]-1,3-thiazol-4-yl]-N-propyl-1,3-thiazole-4-carboxamide;N-methyl-2-[2-[[[2-[6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl]acetyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxamide.
Frequently Asked Questions
What is the IUPAC name of 2-[2-[[[2-[2,2-dimethyl-4-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-oxo-1H-pyrrol-3-yl]acetyl]amino]methyl]-1,3-thiazol-4-yl]-N-propyl-1,3-thiazole-4-carboxamide;6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-7-[4-[4-[4-[5-[methyl-[5-[2-[2-[4-[6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-methylidene-4-azaspiro[2.4]hept-6-en-7-yl]-3-oxobutyl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-5-oxopentyl]amino]pentanoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-2-oxobutyl]-4-azaspiro[2.4]hept-6-en-5-one;2-[2-[[[2-[6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl]acetyl]amino]methyl]-1,3-thiazol-4-yl]-N-propyl-1,3-thiazole-4-carboxamide;N-methyl-2-[2-[[[2-[6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl]acetyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[2-[[[2-[2,2-dimethyl-4-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-oxo-1H-pyrrol-3-yl]acetyl]amino]methyl]-1,3-thiazol-4-yl]-N-propyl-1,3-thiazole-4-carboxamide;6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-7-[4-[4-[4-[5-[methyl-[5-[2-[2-[4-[6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-methylidene-4-azaspiro[2.4]hept-6-en-7-yl]-3-oxobutyl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-5-oxopentyl]amino]pentanoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-2-oxobutyl]-4-azaspiro[2.4]hept-6-en-5-one;2-[2-[[[2-[6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl]acetyl]amino]methyl]-1,3-thiazol-4-yl]-N-propyl-1,3-thiazole-4-carboxamide;N-methyl-2-[2-[[[2-[6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl]acetyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxamide (CID 159234827) is 2-[2-[[[2-[2,2-dimethyl-4-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-oxo-1H-pyrrol-3-yl]acetyl]amino]methyl]-1,3-thiazol-4-yl]-N-propyl-1,3-thiazole-4-carboxamide;6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-7-[4-[4-[4-[5-[methyl-[5-[2-[2-[4-[6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-methylidene-4-azaspiro[2.4]hept-6-en-7-yl]-3-oxobutyl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-5-oxopentyl]amino]pentanoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-2-oxobutyl]-4-azaspiro[2.4]hept-6-en-5-one;2-[2-[[[2-[6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl]acetyl]amino]methyl]-1,3-thiazol-4-yl]-N-propyl-1,3-thiazole-4-carboxamide;N-methyl-2-[2-[[[2-[6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl]acetyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[2-[[[2-[2,2-dimethyl-4-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-oxo-1H-pyrrol-3-yl]acetyl]amino]methyl]-1,3-thiazol-4-yl]-N-propyl-1,3-thiazole-4-carboxamide;6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-7-[4-[4-[4-[5-[methyl-[5-[2-[2-[4-[6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-methylidene-4-azaspiro[2.4]hept-6-en-7-yl]-3-oxobutyl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-5-oxopentyl]amino]pentanoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-2-oxobutyl]-4-azaspiro[2.4]hept-6-en-5-one;2-[2-[[[2-[6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl]acetyl]amino]methyl]-1,3-thiazol-4-yl]-N-propyl-1,3-thiazole-4-carboxamide;N-methyl-2-[2-[[[2-[6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl]acetyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[2-[[[2-[2,2-dimethyl-4-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-oxo-1H-pyrrol-3-yl]acetyl]amino]methyl]-1,3-thiazol-4-yl]-N-propyl-1,3-thiazole-4-carboxamide;6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-7-[4-[4-[4-[5-[methyl-[5-[2-[2-[4-[6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-methylidene-4-azaspiro[2.4]hept-6-en-7-yl]-3-oxobutyl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-5-oxopentyl]amino]pentanoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-2-oxobutyl]-4-azaspiro[2.4]hept-6-en-5-one;2-[2-[[[2-[6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl]acetyl]amino]methyl]-1,3-thiazol-4-yl]-N-propyl-1,3-thiazole-4-carboxamide;N-methyl-2-[2-[[[2-[6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl]acetyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxamide is C=C1NC2(CC2)C(CC(=O)CCc2nc(-c3nc(C(=O)CCCCN(C)CCCCC(=O)c4csc(-c5csc(CCC(=O)CC6=C(C7=N[C@@H](C)CC7)C(=O)NC67CC7)n5)n4)cs3)cs2)=C1C1=N[C@@H](C)CC1.CCCNC(=O)c1csc(-c2csc(CNC(=O)CC3=C(C4=N[C@@H](C)CC4)C(=O)NC3(C)C)n2)n1.CCCNC(=O)c1csc(-c2csc(CNC(=O)CC3=C(C4=N[C@@H](C)CC4)C(=O)NC34CC4)n2)n1.CNC(=O)c1csc(-c2csc(CNC(=O)CC3=C(C4=N[C@@H](C)CC4)C(=O)NC34CC4)n2)n1.
What is the InChIKey of 2-[2-[[[2-[2,2-dimethyl-4-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-oxo-1H-pyrrol-3-yl]acetyl]amino]methyl]-1,3-thiazol-4-yl]-N-propyl-1,3-thiazole-4-carboxamide;6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-7-[4-[4-[4-[5-[methyl-[5-[2-[2-[4-[6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-methylidene-4-azaspiro[2.4]hept-6-en-7-yl]-3-oxobutyl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-5-oxopentyl]amino]pentanoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-2-oxobutyl]-4-azaspiro[2.4]hept-6-en-5-one;2-[2-[[[2-[6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl]acetyl]amino]methyl]-1,3-thiazol-4-yl]-N-propyl-1,3-thiazole-4-carboxamide;N-methyl-2-[2-[[[2-[6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl]acetyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is KTIMYWGRYARGID-NWEJAXJBSA-N. The full InChI is InChI=1S/C54H63N9O5S4.C24H28N6O3S2.C24H30N6O3S2.C22H24N6O3S2/c1-31-11-15-38(55-31)48-33(3)61-53(19-20-53)36(48)25-34(64)13-17-46-57-42(29-69-46)51-59-40(27-71-51)44(66)9-5-7-23-63(4)24-8-6-10-45(67)41-28-72-52(60-41)43-30-70-47(58-43)18-14-35(65)26-37-49(39-16-12-32(2)56-39)50(68)62-54(37)21-22-54;1-3-8-25-21(32)16-11-35-23(29-16)17-12-34-19(28-17)10-26-18(31)9-14-20(15-5-4-13(2)27-15)22(33)30-24(14)6-7-24;1-5-8-25-21(32)16-11-35-23(29-16)17-12-34-19(28-17)10-26-18(31)9-14-20(15-7-6-13(2)27-15)22(33)30-24(14,3)4;1-11-3-4-13(25-11)18-12(22(5-6-22)28-20(18)31)7-16(29)24-8-17-26-15(10-32-17)21-27-14(9-33-21)19(30)23-2/h27-32,61H,3,5-26H2,1-2,4H3,(H,62,68);11-13H,3-10H2,1-2H3,(H,25,32)(H,26,31)(H,30,33);11-13H,5-10H2,1-4H3,(H,25,32)(H,26,31)(H,30,33);9-11H,3-8H2,1-2H3,(H,23,30)(H,24,29)(H,28,31)/t31-,32-;2*13-;11-/m0000/s1.
What are the key properties of 2-[2-[[[2-[2,2-dimethyl-4-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-oxo-1H-pyrrol-3-yl]acetyl]amino]methyl]-1,3-thiazol-4-yl]-N-propyl-1,3-thiazole-4-carboxamide;6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-7-[4-[4-[4-[5-[methyl-[5-[2-[2-[4-[6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-methylidene-4-azaspiro[2.4]hept-6-en-7-yl]-3-oxobutyl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-5-oxopentyl]amino]pentanoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-2-oxobutyl]-4-azaspiro[2.4]hept-6-en-5-one;2-[2-[[[2-[6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl]acetyl]amino]methyl]-1,3-thiazol-4-yl]-N-propyl-1,3-thiazole-4-carboxamide;N-methyl-2-[2-[[[2-[6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl]acetyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxamide?
2-[2-[[[2-[2,2-dimethyl-4-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-oxo-1H-pyrrol-3-yl]acetyl]amino]methyl]-1,3-thiazol-4-yl]-N-propyl-1,3-thiazole-4-carboxamide;6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-7-[4-[4-[4-[5-[methyl-[5-[2-[2-[4-[6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-methylidene-4-azaspiro[2.4]hept-6-en-7-yl]-3-oxobutyl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-5-oxopentyl]amino]pentanoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-2-oxobutyl]-4-azaspiro[2.4]hept-6-en-5-one;2-[2-[[[2-[6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl]acetyl]amino]methyl]-1,3-thiazol-4-yl]-N-propyl-1,3-thiazole-4-carboxamide;N-methyl-2-[2-[[[2-[6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl]acetyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 2558.37 g/mol, XLogP of 18.57, 51 rotatable bonds, 11 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[[2-[2,2-dimethyl-4-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-oxo-1H-pyrrol-3-yl]acetyl]amino]methyl]-1,3-thiazol-4-yl]-N-propyl-1,3-thiazole-4-carboxamide;6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-7-[4-[4-[4-[5-[methyl-[5-[2-[2-[4-[6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-methylidene-4-azaspiro[2.4]hept-6-en-7-yl]-3-oxobutyl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-5-oxopentyl]amino]pentanoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-2-oxobutyl]-4-azaspiro[2.4]hept-6-en-5-one;2-[2-[[[2-[6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl]acetyl]amino]methyl]-1,3-thiazol-4-yl]-N-propyl-1,3-thiazole-4-carboxamide;N-methyl-2-[2-[[[2-[6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl]acetyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 159234827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).