About 3-tert-butyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2-methylidene-5-oxopyrrol-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrolidine-1-carboxamide;1-[13-(3-tert-butylpyrrolidin-1-yl)-6,13-dioxotridecyl]pyrrole-2,5-dione;1-(3-tert-butylpyrrolidin-1-yl)-8-[4-[(2-methylidene-5-oxopyrrol-1-yl)methyl]cyclohexyl]octane-1,8-dione;1-[2-[2-[2-[2-[3-(3-tert-butylpyrrolidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-methylidenepyrrol-2-one;1-[[1-[2-[2-[2-[2-[3-(3-tert-butylpyrrolidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-5-methylidenepyrrol-2-one;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 3-tert-butylpyrrolidine-1-carboxylate
3-tert-butyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2-methylidene-5-oxopyrrol-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrolidine-1-carboxamide;1-[13-(3-tert-butylpyrrolidin-1-yl)-6,13-dioxotridecyl]pyrrole-2,5-dione;1-(3-tert-butylpyrrolidin-1-yl)-8-[4-[(2-methylidene-5-oxopyrrol-1-yl)methyl]cyclohexyl]octane-1,8-dione;1-[2-[2-[2-[2-[3-(3-tert-butylpyrrolidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-methylidenepyrrol-2-one;1-[[1-[2-[2-[2-[2-[3-(3-tert-butylpyrrolidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-5-methylidenepyrrol-2-one;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 3-tert-butylpyrrolidine-1-carboxylate (PubChem CID 162164208) has the molecular formula C175H279N23O36
and a molecular weight of 3281.28 g/mol. Its IUPAC name is 3-tert-butyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2-methylidene-5-oxopyrrol-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrolidine-1-carboxamide;1-[13-(3-tert-butylpyrrolidin-1-yl)-6,13-dioxotridecyl]pyrrole-2,5-dione;1-(3-tert-butylpyrrolidin-1-yl)-8-[4-[(2-methylidene-5-oxopyrrol-1-yl)methyl]cyclohexyl]octane-1,8-dione;1-[2-[2-[2-[2-[3-(3-tert-butylpyrrolidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-methylidenepyrrol-2-one;1-[[1-[2-[2-[2-[2-[3-(3-tert-butylpyrrolidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-5-methylidenepyrrol-2-one;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 3-tert-butylpyrrolidine-1-carboxylate.
Frequently Asked Questions
What is the IUPAC name of 3-tert-butyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2-methylidene-5-oxopyrrol-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrolidine-1-carboxamide;1-[13-(3-tert-butylpyrrolidin-1-yl)-6,13-dioxotridecyl]pyrrole-2,5-dione;1-(3-tert-butylpyrrolidin-1-yl)-8-[4-[(2-methylidene-5-oxopyrrol-1-yl)methyl]cyclohexyl]octane-1,8-dione;1-[2-[2-[2-[2-[3-(3-tert-butylpyrrolidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-methylidenepyrrol-2-one;1-[[1-[2-[2-[2-[2-[3-(3-tert-butylpyrrolidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-5-methylidenepyrrol-2-one;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 3-tert-butylpyrrolidine-1-carboxylate?
The IUPAC name of 3-tert-butyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2-methylidene-5-oxopyrrol-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrolidine-1-carboxamide;1-[13-(3-tert-butylpyrrolidin-1-yl)-6,13-dioxotridecyl]pyrrole-2,5-dione;1-(3-tert-butylpyrrolidin-1-yl)-8-[4-[(2-methylidene-5-oxopyrrol-1-yl)methyl]cyclohexyl]octane-1,8-dione;1-[2-[2-[2-[2-[3-(3-tert-butylpyrrolidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-methylidenepyrrol-2-one;1-[[1-[2-[2-[2-[2-[3-(3-tert-butylpyrrolidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-5-methylidenepyrrol-2-one;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 3-tert-butylpyrrolidine-1-carboxylate (CID 162164208) is 3-tert-butyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2-methylidene-5-oxopyrrol-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrolidine-1-carboxamide;1-[13-(3-tert-butylpyrrolidin-1-yl)-6,13-dioxotridecyl]pyrrole-2,5-dione;1-(3-tert-butylpyrrolidin-1-yl)-8-[4-[(2-methylidene-5-oxopyrrol-1-yl)methyl]cyclohexyl]octane-1,8-dione;1-[2-[2-[2-[2-[3-(3-tert-butylpyrrolidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-methylidenepyrrol-2-one;1-[[1-[2-[2-[2-[2-[3-(3-tert-butylpyrrolidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-5-methylidenepyrrol-2-one;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 3-tert-butylpyrrolidine-1-carboxylate.
What is the SMILES notation for 3-tert-butyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2-methylidene-5-oxopyrrol-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrolidine-1-carboxamide;1-[13-(3-tert-butylpyrrolidin-1-yl)-6,13-dioxotridecyl]pyrrole-2,5-dione;1-(3-tert-butylpyrrolidin-1-yl)-8-[4-[(2-methylidene-5-oxopyrrol-1-yl)methyl]cyclohexyl]octane-1,8-dione;1-[2-[2-[2-[2-[3-(3-tert-butylpyrrolidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-methylidenepyrrol-2-one;1-[[1-[2-[2-[2-[2-[3-(3-tert-butylpyrrolidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-5-methylidenepyrrol-2-one;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 3-tert-butylpyrrolidine-1-carboxylate?
The canonical SMILES for 3-tert-butyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2-methylidene-5-oxopyrrol-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrolidine-1-carboxamide;1-[13-(3-tert-butylpyrrolidin-1-yl)-6,13-dioxotridecyl]pyrrole-2,5-dione;1-(3-tert-butylpyrrolidin-1-yl)-8-[4-[(2-methylidene-5-oxopyrrol-1-yl)methyl]cyclohexyl]octane-1,8-dione;1-[2-[2-[2-[2-[3-(3-tert-butylpyrrolidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-methylidenepyrrol-2-one;1-[[1-[2-[2-[2-[2-[3-(3-tert-butylpyrrolidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-5-methylidenepyrrol-2-one;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 3-tert-butylpyrrolidine-1-carboxylate is C=C1C=CC(=O)N1CC1CCC(C(=O)CCCCCCC(=O)N2CCC(C(C)(C)C)C2)CC1.C=C1C=CC(=O)N1CCOCCOCCOCCOCCC(=O)N1CCC(C(C)(C)C)C1.C=C1C=CC(=O)N1Cc1cn(CCOCCOCCOCCOCCC(=O)N2CCC(C(C)(C)C)C2)nn1.C=C1C=CC(=O)N1Cc1cn(CCOCCOCCOCCOCCOCCOCCOCCNC(=O)N2CCC(C(C)(C)C)C2)nn1.CC(C)(C)C1CCN(C(=O)CCCCCCC(=O)CCCCCN2C(=O)C=CC2=O)C1.CC(C)[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)C[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)N2CCC(C(C)(C)C)C2)cc1.
What is the InChIKey of 3-tert-butyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2-methylidene-5-oxopyrrol-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrolidine-1-carboxamide;1-[13-(3-tert-butylpyrrolidin-1-yl)-6,13-dioxotridecyl]pyrrole-2,5-dione;1-(3-tert-butylpyrrolidin-1-yl)-8-[4-[(2-methylidene-5-oxopyrrol-1-yl)methyl]cyclohexyl]octane-1,8-dione;1-[2-[2-[2-[2-[3-(3-tert-butylpyrrolidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-methylidenepyrrol-2-one;1-[[1-[2-[2-[2-[2-[3-(3-tert-butylpyrrolidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-5-methylidenepyrrol-2-one;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 3-tert-butylpyrrolidine-1-carboxylate?
The InChIKey is ZMXGMDDHNOWNAT-DYFZXDGISA-N. The full InChI is InChI=1S/C38H56N6O8.C33H56N6O9.C28H44N2O3.C27H43N5O6.C25H40N2O4.C24H40N2O6/c1-25(2)34(42-31(46)11-7-6-8-20-44-32(47)16-17-33(44)48)30(45)22-27(10-9-19-40-36(39)50)35(49)41-29-14-12-26(13-15-29)24-52-37(51)43-21-18-28(23-43)38(3,4)5;1-28-5-6-31(40)39(28)27-30-26-38(36-35-30)10-12-43-14-16-45-18-20-47-22-24-48-23-21-46-19-17-44-15-13-42-11-8-34-32(41)37-9-7-29(25-37)33(2,3)4;1-21-11-16-27(33)30(21)19-22-12-14-23(15-13-22)25(31)9-7-5-6-8-10-26(32)29-18-17-24(20-29)28(2,3)4;1-22-5-6-26(34)32(22)21-24-20-31(29-28-24)10-12-36-14-16-38-18-17-37-15-13-35-11-8-25(33)30-9-7-23(19-30)27(2,3)4;1-25(2,3)20-16-18-26(19-20)22(29)13-9-5-4-7-11-21(28)12-8-6-10-17-27-23(30)14-15-24(27)31;1-20-5-6-23(28)26(20)10-12-30-14-16-32-18-17-31-15-13-29-11-8-22(27)25-9-7-21(19-25)24(2,3)4/h12-17,25,27-28,34H,6-11,18-24H2,1-5H3,(H,41,49)(H,42,46)(H3,39,40,50);5-6,26,29H,1,7-25,27H2,2-4H3,(H,34,41);11,16,22-24H,1,5-10,12-15,17-20H2,2-4H3;5-6,20,23H,1,7-19,21H2,2-4H3;14-15,20H,4-13,16-19H2,1-3H3;5-6,21H,1,7-19H2,2-4H3/t27-,28?,34+;;;;;/m1...../s1.
What are the key properties of 3-tert-butyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2-methylidene-5-oxopyrrol-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrolidine-1-carboxamide;1-[13-(3-tert-butylpyrrolidin-1-yl)-6,13-dioxotridecyl]pyrrole-2,5-dione;1-(3-tert-butylpyrrolidin-1-yl)-8-[4-[(2-methylidene-5-oxopyrrol-1-yl)methyl]cyclohexyl]octane-1,8-dione;1-[2-[2-[2-[2-[3-(3-tert-butylpyrrolidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-methylidenepyrrol-2-one;1-[[1-[2-[2-[2-[2-[3-(3-tert-butylpyrrolidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-5-methylidenepyrrol-2-one;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 3-tert-butylpyrrolidine-1-carboxylate?
3-tert-butyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2-methylidene-5-oxopyrrol-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrolidine-1-carboxamide;1-[13-(3-tert-butylpyrrolidin-1-yl)-6,13-dioxotridecyl]pyrrole-2,5-dione;1-(3-tert-butylpyrrolidin-1-yl)-8-[4-[(2-methylidene-5-oxopyrrol-1-yl)methyl]cyclohexyl]octane-1,8-dione;1-[2-[2-[2-[2-[3-(3-tert-butylpyrrolidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-methylidenepyrrol-2-one;1-[[1-[2-[2-[2-[2-[3-(3-tert-butylpyrrolidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-5-methylidenepyrrol-2-one;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 3-tert-butylpyrrolidine-1-carboxylate has a molecular weight of 3281.28 g/mol, XLogP of 20.24, 100 rotatable bonds, 5 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2-methylidene-5-oxopyrrol-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrolidine-1-carboxamide;1-[13-(3-tert-butylpyrrolidin-1-yl)-6,13-dioxotridecyl]pyrrole-2,5-dione;1-(3-tert-butylpyrrolidin-1-yl)-8-[4-[(2-methylidene-5-oxopyrrol-1-yl)methyl]cyclohexyl]octane-1,8-dione;1-[2-[2-[2-[2-[3-(3-tert-butylpyrrolidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-methylidenepyrrol-2-one;1-[[1-[2-[2-[2-[2-[3-(3-tert-butylpyrrolidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-5-methylidenepyrrol-2-one;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 3-tert-butylpyrrolidine-1-carboxylate is sourced from PubChem (CID 162164208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).