About [4-[5-[[5-(carbamoylamino)-2-[[2-[[7-(2,5-dioxopyrrol-1-yl)-1,1,1-trifluoroheptan-2-yl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]-2-oxopentyl]phenyl]methyl N-[1-[[1-[[1-[2-(6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate;[4-[[2-[3-(carbamoylamino)propyl]-5-[[7-(2,5-dioxopyrrol-1-yl)-1,1,1-trifluoroheptan-2-yl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[4-[[1-[[1-[[1-[2-(6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylamino]-4-oxobutyl]carbamate
[4-[5-[[5-(carbamoylamino)-2-[[2-[[7-(2,5-dioxopyrrol-1-yl)-1,1,1-trifluoroheptan-2-yl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]-2-oxopentyl]phenyl]methyl N-[1-[[1-[[1-[2-(6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate;[4-[[2-[3-(carbamoylamino)propyl]-5-[[7-(2,5-dioxopyrrol-1-yl)-1,1,1-trifluoroheptan-2-yl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[4-[[1-[[1-[[1-[2-(6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylamino]-4-oxobutyl]carbamate (PubChem CID 158515061) has the molecular formula C150H230F6N20O30
and a molecular weight of 2907.59 g/mol. Its IUPAC name is [4-[5-[[5-(carbamoylamino)-2-[[2-[[7-(2,5-dioxopyrrol-1-yl)-1,1,1-trifluoroheptan-2-yl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]-2-oxopentyl]phenyl]methyl N-[1-[[1-[[1-[2-(6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate;[4-[[2-[3-(carbamoylamino)propyl]-5-[[7-(2,5-dioxopyrrol-1-yl)-1,1,1-trifluoroheptan-2-yl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[4-[[1-[[1-[[1-[2-(6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylamino]-4-oxobutyl]carbamate.
Frequently Asked Questions
What is the IUPAC name of [4-[5-[[5-(carbamoylamino)-2-[[2-[[7-(2,5-dioxopyrrol-1-yl)-1,1,1-trifluoroheptan-2-yl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]-2-oxopentyl]phenyl]methyl N-[1-[[1-[[1-[2-(6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate;[4-[[2-[3-(carbamoylamino)propyl]-5-[[7-(2,5-dioxopyrrol-1-yl)-1,1,1-trifluoroheptan-2-yl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[4-[[1-[[1-[[1-[2-(6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylamino]-4-oxobutyl]carbamate?
The IUPAC name of [4-[5-[[5-(carbamoylamino)-2-[[2-[[7-(2,5-dioxopyrrol-1-yl)-1,1,1-trifluoroheptan-2-yl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]-2-oxopentyl]phenyl]methyl N-[1-[[1-[[1-[2-(6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate;[4-[[2-[3-(carbamoylamino)propyl]-5-[[7-(2,5-dioxopyrrol-1-yl)-1,1,1-trifluoroheptan-2-yl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[4-[[1-[[1-[[1-[2-(6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylamino]-4-oxobutyl]carbamate (CID 158515061) is [4-[5-[[5-(carbamoylamino)-2-[[2-[[7-(2,5-dioxopyrrol-1-yl)-1,1,1-trifluoroheptan-2-yl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]-2-oxopentyl]phenyl]methyl N-[1-[[1-[[1-[2-(6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate;[4-[[2-[3-(carbamoylamino)propyl]-5-[[7-(2,5-dioxopyrrol-1-yl)-1,1,1-trifluoroheptan-2-yl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[4-[[1-[[1-[[1-[2-(6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylamino]-4-oxobutyl]carbamate.
What is the SMILES notation for [4-[5-[[5-(carbamoylamino)-2-[[2-[[7-(2,5-dioxopyrrol-1-yl)-1,1,1-trifluoroheptan-2-yl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]-2-oxopentyl]phenyl]methyl N-[1-[[1-[[1-[2-(6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate;[4-[[2-[3-(carbamoylamino)propyl]-5-[[7-(2,5-dioxopyrrol-1-yl)-1,1,1-trifluoroheptan-2-yl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[4-[[1-[[1-[[1-[2-(6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylamino]-4-oxobutyl]carbamate?
The canonical SMILES for [4-[5-[[5-(carbamoylamino)-2-[[2-[[7-(2,5-dioxopyrrol-1-yl)-1,1,1-trifluoroheptan-2-yl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]-2-oxopentyl]phenyl]methyl N-[1-[[1-[[1-[2-(6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate;[4-[[2-[3-(carbamoylamino)propyl]-5-[[7-(2,5-dioxopyrrol-1-yl)-1,1,1-trifluoroheptan-2-yl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[4-[[1-[[1-[[1-[2-(6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylamino]-4-oxobutyl]carbamate is CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)CC(C)C(O)c1ccccc1)OC)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C(=O)CCCNC(=O)OCc1ccc(NC(=O)C(CCCNC(N)=O)CC(=O)C(NC(CCCCCN2C(=O)C=CC2=O)C(F)(F)F)C(C)C)cc1)C(C)C.CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)CC(C)C(O)c1ccccc1)OC)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C(=O)OCc1ccc(CC(=O)CCCNC(=O)C(CCCNC(N)=O)NC(=O)C(NC(CCCCCN2C(=O)C=CC2=O)C(F)(F)F)C(C)C)cc1)C(C)C.
What is the InChIKey of [4-[5-[[5-(carbamoylamino)-2-[[2-[[7-(2,5-dioxopyrrol-1-yl)-1,1,1-trifluoroheptan-2-yl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]-2-oxopentyl]phenyl]methyl N-[1-[[1-[[1-[2-(6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate;[4-[[2-[3-(carbamoylamino)propyl]-5-[[7-(2,5-dioxopyrrol-1-yl)-1,1,1-trifluoroheptan-2-yl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[4-[[1-[[1-[[1-[2-(6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylamino]-4-oxobutyl]carbamate?
The InChIKey is HLNJIERKCOGZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C75H115F3N10O15/c1-15-48(8)67(58(101-13)43-63(94)87-40-24-28-55(87)69(102-14)50(10)56(89)41-49(9)68(95)52-25-18-16-19-26-52)86(12)72(98)65(46(4)5)84-71(97)66(47(6)7)85(11)60(91)30-23-38-81-74(100)103-44-51-31-33-54(34-32-51)82-70(96)53(27-22-37-80-73(79)99)42-57(90)64(45(2)3)83-59(75(76,77)78)29-20-17-21-39-88-61(92)35-36-62(88)93;1-15-48(8)66(58(101-13)43-62(93)87-40-24-29-56(87)68(102-14)50(10)57(90)41-49(9)67(94)53-25-18-16-19-26-53)85(11)72(98)64(46(4)5)84-71(97)65(47(6)7)86(12)74(100)103-44-52-33-31-51(32-34-52)42-54(89)27-22-37-80-69(95)55(28-23-38-81-73(79)99)82-70(96)63(45(2)3)83-59(75(76,77)78)30-20-17-21-39-88-60(91)35-36-61(88)92/h16,18-19,25-26,31-36,45-50,53,55,58-59,64-69,83,95H,15,17,20-24,27-30,37-44H2,1-14H3,(H,81,100)(H,82,96)(H,84,97)(H3,79,80,99);16,18-19,25-26,31-36,45-50,55-56,58-59,63-68,83,94H,15,17,20-24,27-30,37-44H2,1-14H3,(H,80,95)(H,82,96)(H,84,97)(H3,79,81,99).
What are the key properties of [4-[5-[[5-(carbamoylamino)-2-[[2-[[7-(2,5-dioxopyrrol-1-yl)-1,1,1-trifluoroheptan-2-yl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]-2-oxopentyl]phenyl]methyl N-[1-[[1-[[1-[2-(6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate;[4-[[2-[3-(carbamoylamino)propyl]-5-[[7-(2,5-dioxopyrrol-1-yl)-1,1,1-trifluoroheptan-2-yl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[4-[[1-[[1-[[1-[2-(6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylamino]-4-oxobutyl]carbamate?
[4-[5-[[5-(carbamoylamino)-2-[[2-[[7-(2,5-dioxopyrrol-1-yl)-1,1,1-trifluoroheptan-2-yl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]-2-oxopentyl]phenyl]methyl N-[1-[[1-[[1-[2-(6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate;[4-[[2-[3-(carbamoylamino)propyl]-5-[[7-(2,5-dioxopyrrol-1-yl)-1,1,1-trifluoroheptan-2-yl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[4-[[1-[[1-[[1-[2-(6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylamino]-4-oxobutyl]carbamate has a molecular weight of 2907.59 g/mol, XLogP of 16.20, 90 rotatable bonds, 14 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[[5-(carbamoylamino)-2-[[2-[[7-(2,5-dioxopyrrol-1-yl)-1,1,1-trifluoroheptan-2-yl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]-2-oxopentyl]phenyl]methyl N-[1-[[1-[[1-[2-(6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate;[4-[[2-[3-(carbamoylamino)propyl]-5-[[7-(2,5-dioxopyrrol-1-yl)-1,1,1-trifluoroheptan-2-yl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[4-[[1-[[1-[[1-[2-(6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylamino]-4-oxobutyl]carbamate is sourced from PubChem (CID 158515061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).