About 6-(2,5-dioxopyrrol-1-yl)-N-[6-[6-[5-[4-[2-[4-[2-[1-[2-[1-[6-[1-[6-[5-[[6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2,4-trimethylhexyl]amino]-5-oxopentyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoinden-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]hexanoylamino]-3,5,5-trimethylhexyl]hexanamide
6-(2,5-dioxopyrrol-1-yl)-N-[6-[6-[5-[4-[2-[4-[2-[1-[2-[1-[6-[1-[6-[5-[[6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2,4-trimethylhexyl]amino]-5-oxopentyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoinden-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]hexanoylamino]-3,5,5-trimethylhexyl]hexanamide (PubChem CID 140788982) has the molecular formula C219H115N13O26
and a molecular weight of 3344.39 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrol-1-yl)-N-[6-[6-[5-[4-[2-[4-[2-[1-[2-[1-[6-[1-[6-[5-[[6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2,4-trimethylhexyl]amino]-5-oxopentyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoinden-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]hexanoylamino]-3,5,5-trimethylhexyl]hexanamide.
Frequently Asked Questions
What is the IUPAC name of 6-(2,5-dioxopyrrol-1-yl)-N-[6-[6-[5-[4-[2-[4-[2-[1-[2-[1-[6-[1-[6-[5-[[6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2,4-trimethylhexyl]amino]-5-oxopentyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoinden-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]hexanoylamino]-3,5,5-trimethylhexyl]hexanamide?
The IUPAC name of 6-(2,5-dioxopyrrol-1-yl)-N-[6-[6-[5-[4-[2-[4-[2-[1-[2-[1-[6-[1-[6-[5-[[6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2,4-trimethylhexyl]amino]-5-oxopentyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoinden-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]hexanoylamino]-3,5,5-trimethylhexyl]hexanamide (CID 140788982) is 6-(2,5-dioxopyrrol-1-yl)-N-[6-[6-[5-[4-[2-[4-[2-[1-[2-[1-[6-[1-[6-[5-[[6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2,4-trimethylhexyl]amino]-5-oxopentyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoinden-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]hexanoylamino]-3,5,5-trimethylhexyl]hexanamide.
What is the SMILES notation for 6-(2,5-dioxopyrrol-1-yl)-N-[6-[6-[5-[4-[2-[4-[2-[1-[2-[1-[6-[1-[6-[5-[[6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2,4-trimethylhexyl]amino]-5-oxopentyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoinden-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]hexanoylamino]-3,5,5-trimethylhexyl]hexanamide?
The canonical SMILES for 6-(2,5-dioxopyrrol-1-yl)-N-[6-[6-[5-[4-[2-[4-[2-[1-[2-[1-[6-[1-[6-[5-[[6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2,4-trimethylhexyl]amino]-5-oxopentyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoinden-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]hexanoylamino]-3,5,5-trimethylhexyl]hexanamide is C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C(C1C(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc6c(c5)C(=O)N(CCCCCC(=O)NCC(C)(C)CC(C)CCNC(=O)CCCCCN5C(=O)C=CC5=O)C6=O)cc4)cc3)cc2C1=O)n1c(=O)c2cc3c(=O)n(C(=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C)n4c(=O)c5cc6c(=O)n(C(=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C)n7c(=O)c8cc9c(=O)n(CCCCC(=O)NCC(C)(C)CC(C)CCNC(=O)CCCCCN%10C(=O)C=CC%10=O)c(=O)c9cc8c7=O)c(=O)c6cc5c4=O)c(=O)c3cc2c1=O.
What is the InChIKey of 6-(2,5-dioxopyrrol-1-yl)-N-[6-[6-[5-[4-[2-[4-[2-[1-[2-[1-[6-[1-[6-[5-[[6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2,4-trimethylhexyl]amino]-5-oxopentyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoinden-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]hexanoylamino]-3,5,5-trimethylhexyl]hexanamide?
The InChIKey is HGAVDVWPRMTXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C219H115N13O26/c1-12-15-18-21-24-27-30-33-36-39-42-45-48-51-54-57-60-63-66-69-72-75-78-81-84-87-90-93-96-99-102-105-111-122-189(200-201(241)173-139-137-171(153-175(173)202(200)242)257-169-133-129-167(130-134-169)219(10,11)168-131-135-170(136-132-168)258-172-138-140-174-176(154-172)204(244)226(203(174)243)151-120-110-114-125-192(235)222-163-217(6,7)161-165(4)145-147-220-190(233)123-112-108-118-149-224-196(237)141-142-197(224)238)228-207(247)179-157-183-184(158-180(179)208(228)248)212(252)230(211(183)251)195(128-116-107-104-101-98-95-92-89-86-83-80-77-74-71-68-65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-3)232-215(255)187-159-185-186(160-188(187)216(232)256)214(254)231(213(185)253)194(127-115-106-103-100-97-94-91-88-85-82-79-76-73-70-67-64-61-58-55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-2)229-209(249)181-155-177-178(156-182(181)210(229)250)206(246)227(205(177)245)152-121-117-126-193(236)223-164-218(8,9)162-166(5)146-148-221-191(234)124-113-109-119-150-225-198(239)143-144-199(225)240/h129-144,153-160,165-166,200H,1-3,108-110,112-114,117-121,123-126,145-152,161-164H2,4-11H3,(H,220,233)(H,221,234)(H,222,235)(H,223,236).
What are the key properties of 6-(2,5-dioxopyrrol-1-yl)-N-[6-[6-[5-[4-[2-[4-[2-[1-[2-[1-[6-[1-[6-[5-[[6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2,4-trimethylhexyl]amino]-5-oxopentyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoinden-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]hexanoylamino]-3,5,5-trimethylhexyl]hexanamide?
6-(2,5-dioxopyrrol-1-yl)-N-[6-[6-[5-[4-[2-[4-[2-[1-[2-[1-[6-[1-[6-[5-[[6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2,4-trimethylhexyl]amino]-5-oxopentyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoinden-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]hexanoylamino]-3,5,5-trimethylhexyl]hexanamide has a molecular weight of 3344.39 g/mol, XLogP of 25.50, 49 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dioxopyrrol-1-yl)-N-[6-[6-[5-[4-[2-[4-[2-[1-[2-[1-[6-[1-[6-[5-[[6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2,4-trimethylhexyl]amino]-5-oxopentyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoinden-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]hexanoylamino]-3,5,5-trimethylhexyl]hexanamide is sourced from PubChem (CID 140788982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).