About 2-[2-(2-azidoethoxy)ethoxy]ethyl N-methylcarbamate;2-[(5S,11S,14S)-14-benzyl-5-[3-(diaminomethylideneamino)propyl]-2-[4-[3-[3-[[3-[3-[2-[2-[2-(methylcarbamoyloxy)ethoxy]ethoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]-3-oxopropyl]amino]-3-oxopropoxy]propanoylamino]butyl]-3,6,9,12,15-pentaoxo-1,4,7,10-tetrazacyclopentadec-11-yl]acetic acid;6-[1,1-dimethyl-2-[5-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]benzo[e]indol-3-yl]-N-methylhexanamide;ethane;methane;N-methyl-3-tributylstannylbenzamide;chloride
2-[2-(2-azidoethoxy)ethoxy]ethyl N-methylcarbamate;2-[(5S,11S,14S)-14-benzyl-5-[3-(diaminomethylideneamino)propyl]-2-[4-[3-[3-[[3-[3-[2-[2-[2-(methylcarbamoyloxy)ethoxy]ethoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]-3-oxopropyl]amino]-3-oxopropoxy]propanoylamino]butyl]-3,6,9,12,15-pentaoxo-1,4,7,10-tetrazacyclopentadec-11-yl]acetic acid;6-[1,1-dimethyl-2-[5-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]benzo[e]indol-3-yl]-N-methylhexanamide;ethane;methane;N-methyl-3-tributylstannylbenzamide;chloride (PubChem CID 159349568) has the molecular formula C132H187ClN22O21Sn
and a molecular weight of 2572.24 g/mol. Its IUPAC name is 2-[2-(2-azidoethoxy)ethoxy]ethyl N-methylcarbamate;2-[(5S,11S,14S)-14-benzyl-5-[3-(diaminomethylideneamino)propyl]-2-[4-[3-[3-[[3-[3-[2-[2-[2-(methylcarbamoyloxy)ethoxy]ethoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]-3-oxopropyl]amino]-3-oxopropoxy]propanoylamino]butyl]-3,6,9,12,15-pentaoxo-1,4,7,10-tetrazacyclopentadec-11-yl]acetic acid;6-[1,1-dimethyl-2-[5-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]benzo[e]indol-3-yl]-N-methylhexanamide;ethane;methane;N-methyl-3-tributylstannylbenzamide;chloride.
Frequently Asked Questions
What is the IUPAC name of 2-[2-(2-azidoethoxy)ethoxy]ethyl N-methylcarbamate;2-[(5S,11S,14S)-14-benzyl-5-[3-(diaminomethylideneamino)propyl]-2-[4-[3-[3-[[3-[3-[2-[2-[2-(methylcarbamoyloxy)ethoxy]ethoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]-3-oxopropyl]amino]-3-oxopropoxy]propanoylamino]butyl]-3,6,9,12,15-pentaoxo-1,4,7,10-tetrazacyclopentadec-11-yl]acetic acid;6-[1,1-dimethyl-2-[5-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]benzo[e]indol-3-yl]-N-methylhexanamide;ethane;methane;N-methyl-3-tributylstannylbenzamide;chloride?
The IUPAC name of 2-[2-(2-azidoethoxy)ethoxy]ethyl N-methylcarbamate;2-[(5S,11S,14S)-14-benzyl-5-[3-(diaminomethylideneamino)propyl]-2-[4-[3-[3-[[3-[3-[2-[2-[2-(methylcarbamoyloxy)ethoxy]ethoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]-3-oxopropyl]amino]-3-oxopropoxy]propanoylamino]butyl]-3,6,9,12,15-pentaoxo-1,4,7,10-tetrazacyclopentadec-11-yl]acetic acid;6-[1,1-dimethyl-2-[5-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]benzo[e]indol-3-yl]-N-methylhexanamide;ethane;methane;N-methyl-3-tributylstannylbenzamide;chloride (CID 159349568) is 2-[2-(2-azidoethoxy)ethoxy]ethyl N-methylcarbamate;2-[(5S,11S,14S)-14-benzyl-5-[3-(diaminomethylideneamino)propyl]-2-[4-[3-[3-[[3-[3-[2-[2-[2-(methylcarbamoyloxy)ethoxy]ethoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]-3-oxopropyl]amino]-3-oxopropoxy]propanoylamino]butyl]-3,6,9,12,15-pentaoxo-1,4,7,10-tetrazacyclopentadec-11-yl]acetic acid;6-[1,1-dimethyl-2-[5-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]benzo[e]indol-3-yl]-N-methylhexanamide;ethane;methane;N-methyl-3-tributylstannylbenzamide;chloride.
What is the SMILES notation for 2-[2-(2-azidoethoxy)ethoxy]ethyl N-methylcarbamate;2-[(5S,11S,14S)-14-benzyl-5-[3-(diaminomethylideneamino)propyl]-2-[4-[3-[3-[[3-[3-[2-[2-[2-(methylcarbamoyloxy)ethoxy]ethoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]-3-oxopropyl]amino]-3-oxopropoxy]propanoylamino]butyl]-3,6,9,12,15-pentaoxo-1,4,7,10-tetrazacyclopentadec-11-yl]acetic acid;6-[1,1-dimethyl-2-[5-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]benzo[e]indol-3-yl]-N-methylhexanamide;ethane;methane;N-methyl-3-tributylstannylbenzamide;chloride?
The canonical SMILES for 2-[2-(2-azidoethoxy)ethoxy]ethyl N-methylcarbamate;2-[(5S,11S,14S)-14-benzyl-5-[3-(diaminomethylideneamino)propyl]-2-[4-[3-[3-[[3-[3-[2-[2-[2-(methylcarbamoyloxy)ethoxy]ethoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]-3-oxopropyl]amino]-3-oxopropoxy]propanoylamino]butyl]-3,6,9,12,15-pentaoxo-1,4,7,10-tetrazacyclopentadec-11-yl]acetic acid;6-[1,1-dimethyl-2-[5-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]benzo[e]indol-3-yl]-N-methylhexanamide;ethane;methane;N-methyl-3-tributylstannylbenzamide;chloride is C.CC.CCCC[Sn](CCCC)(CCCC)c1cccc(C(=O)NC)c1.CNC(=O)CCCCCN1C(=CC=CC=CC2=[N+](C)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21.CNC(=O)OCCOCCOCCN=[N+]=[N-].CNC(=O)OCCOCCOCCn1nnc2c1-c1ccccc1CN(C(=O)CCNC(=O)CCOCCC(=O)NCCCCC1NC(=O)[C@@H](Cc3ccccc3)CC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC1=O)c1ccccc1-2.[Cl-].
What is the InChIKey of 2-[2-(2-azidoethoxy)ethoxy]ethyl N-methylcarbamate;2-[(5S,11S,14S)-14-benzyl-5-[3-(diaminomethylideneamino)propyl]-2-[4-[3-[3-[[3-[3-[2-[2-[2-(methylcarbamoyloxy)ethoxy]ethoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]-3-oxopropyl]amino]-3-oxopropoxy]propanoylamino]butyl]-3,6,9,12,15-pentaoxo-1,4,7,10-tetrazacyclopentadec-11-yl]acetic acid;6-[1,1-dimethyl-2-[5-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]benzo[e]indol-3-yl]-N-methylhexanamide;ethane;methane;N-methyl-3-tributylstannylbenzamide;chloride?
The InChIKey is TVJCTEKSJOXYET-LTCFQABFSA-N. The full InChI is InChI=1S/C60H80N14O15.C41H45N3O.C8H16N4O4.C8H8NO.3C4H9.C2H6.CH4.ClH.Sn/c1-63-60(85)89-33-32-88-31-30-87-29-26-74-55-42-15-6-5-14-40(42)38-73(47-19-8-7-16-43(47)54(55)71-72-74)52(79)20-25-65-50(77)22-28-86-27-21-49(76)64-23-10-9-17-45-58(84)70-44(18-11-24-66-59(61)62)57(83)67-37-51(78)68-46(36-53(80)81)48(75)35-41(56(82)69-45)34-39-12-3-2-4-13-39;1-40(2)35(43(6)33-26-24-29-17-12-14-19-31(29)38(33)40)21-9-7-10-22-36-41(3,4)39-32-20-15-13-18-30(32)25-27-34(39)44(36)28-16-8-11-23-37(45)42-5;1-10-8(13)16-7-6-15-5-4-14-3-2-11-12-9;1-9-8(10)7-5-3-2-4-6-7;3*1-3-4-2;1-2;;;/h2-8,12-16,19,41,44-46H,9-11,17-18,20-38H2,1H3,(H,63,85)(H,64,76)(H,65,77)(H,67,83)(H,68,78)(H,69,82)(H,70,84)(H,80,81)(H4,61,62,66);7,9-10,12-15,17-22,24-27H,8,11,16,23,28H2,1-6H3;2-7H2,1H3,(H,10,13);2-3,5-6H,1H3,(H,9,10);3*1,3-4H2,2H3;1-2H3;1H4;1H;/t41-,44-,45?,46-;;;;;;;;;;/m0........../s1.
What are the key properties of 2-[2-(2-azidoethoxy)ethoxy]ethyl N-methylcarbamate;2-[(5S,11S,14S)-14-benzyl-5-[3-(diaminomethylideneamino)propyl]-2-[4-[3-[3-[[3-[3-[2-[2-[2-(methylcarbamoyloxy)ethoxy]ethoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]-3-oxopropyl]amino]-3-oxopropoxy]propanoylamino]butyl]-3,6,9,12,15-pentaoxo-1,4,7,10-tetrazacyclopentadec-11-yl]acetic acid;6-[1,1-dimethyl-2-[5-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]benzo[e]indol-3-yl]-N-methylhexanamide;ethane;methane;N-methyl-3-tributylstannylbenzamide;chloride?
2-[2-(2-azidoethoxy)ethoxy]ethyl N-methylcarbamate;2-[(5S,11S,14S)-14-benzyl-5-[3-(diaminomethylideneamino)propyl]-2-[4-[3-[3-[[3-[3-[2-[2-[2-(methylcarbamoyloxy)ethoxy]ethoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]-3-oxopropyl]amino]-3-oxopropoxy]propanoylamino]butyl]-3,6,9,12,15-pentaoxo-1,4,7,10-tetrazacyclopentadec-11-yl]acetic acid;6-[1,1-dimethyl-2-[5-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]benzo[e]indol-3-yl]-N-methylhexanamide;ethane;methane;N-methyl-3-tributylstannylbenzamide;chloride has a molecular weight of 2572.24 g/mol, XLogP of 13.92, 60 rotatable bonds, 13 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-azidoethoxy)ethoxy]ethyl N-methylcarbamate;2-[(5S,11S,14S)-14-benzyl-5-[3-(diaminomethylideneamino)propyl]-2-[4-[3-[3-[[3-[3-[2-[2-[2-(methylcarbamoyloxy)ethoxy]ethoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]-3-oxopropyl]amino]-3-oxopropoxy]propanoylamino]butyl]-3,6,9,12,15-pentaoxo-1,4,7,10-tetrazacyclopentadec-11-yl]acetic acid;6-[1,1-dimethyl-2-[5-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]benzo[e]indol-3-yl]-N-methylhexanamide;ethane;methane;N-methyl-3-tributylstannylbenzamide;chloride is sourced from PubChem (CID 159349568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).