About (1R,18R,20R,24S,27S,28S)-24-tert-butyl-28-ethyl-13,14-difluoro-7-methoxy-20-methyl-27-(oxomethyl)-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;(1R,18S,22R,26S,29S,30S)-26-tert-butyl-30-ethyl-13,14-difluoro-7-methoxy-29-(oxomethyl)-2,23-dioxa-4,11,25,28-tetrazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11-pentaene-24,27-dione;(1R,18R,20R,24S,27S,28S)-24-tert-butyl-28-ethyl-13,14-difluoro-7-methoxy-27-(oxomethyl)-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;(1R,19R,24R,28S,31S,32S)-28-tert-butyl-7-methoxy-32-methyl-31-(oxomethyl)-2,25-dioxa-4,11,27,30-tetrazaheptacyclo[28.2.1.03,12.05,10.013,15.019,24.020,22]tritriaconta-3,5(10),6,8,11-pentaene-26,29-dione;tetrakis(vanadium)
(1R,18R,20R,24S,27S,28S)-24-tert-butyl-28-ethyl-13,14-difluoro-7-methoxy-20-methyl-27-(oxomethyl)-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;(1R,18S,22R,26S,29S,30S)-26-tert-butyl-30-ethyl-13,14-difluoro-7-methoxy-29-(oxomethyl)-2,23-dioxa-4,11,25,28-tetrazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11-pentaene-24,27-dione;(1R,18R,20R,24S,27S,28S)-24-tert-butyl-28-ethyl-13,14-difluoro-7-methoxy-27-(oxomethyl)-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;(1R,19R,24R,28S,31S,32S)-28-tert-butyl-7-methoxy-32-methyl-31-(oxomethyl)-2,25-dioxa-4,11,27,30-tetrazaheptacyclo[28.2.1.03,12.05,10.013,15.019,24.020,22]tritriaconta-3,5(10),6,8,11-pentaene-26,29-dione;tetrakis(vanadium) (PubChem CID 162016038) has the molecular formula C130H166F6N16O24V4-4
and a molecular weight of 2654.61 g/mol. Its IUPAC name is (1R,18R,20R,24S,27S,28S)-24-tert-butyl-28-ethyl-13,14-difluoro-7-methoxy-20-methyl-27-(oxomethyl)-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;(1R,18S,22R,26S,29S,30S)-26-tert-butyl-30-ethyl-13,14-difluoro-7-methoxy-29-(oxomethyl)-2,23-dioxa-4,11,25,28-tetrazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11-pentaene-24,27-dione;(1R,18R,20R,24S,27S,28S)-24-tert-butyl-28-ethyl-13,14-difluoro-7-methoxy-27-(oxomethyl)-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;(1R,19R,24R,28S,31S,32S)-28-tert-butyl-7-methoxy-32-methyl-31-(oxomethyl)-2,25-dioxa-4,11,27,30-tetrazaheptacyclo[28.2.1.03,12.05,10.013,15.019,24.020,22]tritriaconta-3,5(10),6,8,11-pentaene-26,29-dione;tetrakis(vanadium).
Frequently Asked Questions
What is the IUPAC name of (1R,18R,20R,24S,27S,28S)-24-tert-butyl-28-ethyl-13,14-difluoro-7-methoxy-20-methyl-27-(oxomethyl)-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;(1R,18S,22R,26S,29S,30S)-26-tert-butyl-30-ethyl-13,14-difluoro-7-methoxy-29-(oxomethyl)-2,23-dioxa-4,11,25,28-tetrazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11-pentaene-24,27-dione;(1R,18R,20R,24S,27S,28S)-24-tert-butyl-28-ethyl-13,14-difluoro-7-methoxy-27-(oxomethyl)-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;(1R,19R,24R,28S,31S,32S)-28-tert-butyl-7-methoxy-32-methyl-31-(oxomethyl)-2,25-dioxa-4,11,27,30-tetrazaheptacyclo[28.2.1.03,12.05,10.013,15.019,24.020,22]tritriaconta-3,5(10),6,8,11-pentaene-26,29-dione;tetrakis(vanadium)?
The IUPAC name of (1R,18R,20R,24S,27S,28S)-24-tert-butyl-28-ethyl-13,14-difluoro-7-methoxy-20-methyl-27-(oxomethyl)-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;(1R,18S,22R,26S,29S,30S)-26-tert-butyl-30-ethyl-13,14-difluoro-7-methoxy-29-(oxomethyl)-2,23-dioxa-4,11,25,28-tetrazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11-pentaene-24,27-dione;(1R,18R,20R,24S,27S,28S)-24-tert-butyl-28-ethyl-13,14-difluoro-7-methoxy-27-(oxomethyl)-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;(1R,19R,24R,28S,31S,32S)-28-tert-butyl-7-methoxy-32-methyl-31-(oxomethyl)-2,25-dioxa-4,11,27,30-tetrazaheptacyclo[28.2.1.03,12.05,10.013,15.019,24.020,22]tritriaconta-3,5(10),6,8,11-pentaene-26,29-dione;tetrakis(vanadium) (CID 162016038) is (1R,18R,20R,24S,27S,28S)-24-tert-butyl-28-ethyl-13,14-difluoro-7-methoxy-20-methyl-27-(oxomethyl)-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;(1R,18S,22R,26S,29S,30S)-26-tert-butyl-30-ethyl-13,14-difluoro-7-methoxy-29-(oxomethyl)-2,23-dioxa-4,11,25,28-tetrazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11-pentaene-24,27-dione;(1R,18R,20R,24S,27S,28S)-24-tert-butyl-28-ethyl-13,14-difluoro-7-methoxy-27-(oxomethyl)-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;(1R,19R,24R,28S,31S,32S)-28-tert-butyl-7-methoxy-32-methyl-31-(oxomethyl)-2,25-dioxa-4,11,27,30-tetrazaheptacyclo[28.2.1.03,12.05,10.013,15.019,24.020,22]tritriaconta-3,5(10),6,8,11-pentaene-26,29-dione;tetrakis(vanadium).
What is the SMILES notation for (1R,18R,20R,24S,27S,28S)-24-tert-butyl-28-ethyl-13,14-difluoro-7-methoxy-20-methyl-27-(oxomethyl)-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;(1R,18S,22R,26S,29S,30S)-26-tert-butyl-30-ethyl-13,14-difluoro-7-methoxy-29-(oxomethyl)-2,23-dioxa-4,11,25,28-tetrazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11-pentaene-24,27-dione;(1R,18R,20R,24S,27S,28S)-24-tert-butyl-28-ethyl-13,14-difluoro-7-methoxy-27-(oxomethyl)-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;(1R,19R,24R,28S,31S,32S)-28-tert-butyl-7-methoxy-32-methyl-31-(oxomethyl)-2,25-dioxa-4,11,27,30-tetrazaheptacyclo[28.2.1.03,12.05,10.013,15.019,24.020,22]tritriaconta-3,5(10),6,8,11-pentaene-26,29-dione;tetrakis(vanadium)?
The canonical SMILES for (1R,18R,20R,24S,27S,28S)-24-tert-butyl-28-ethyl-13,14-difluoro-7-methoxy-20-methyl-27-(oxomethyl)-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;(1R,18S,22R,26S,29S,30S)-26-tert-butyl-30-ethyl-13,14-difluoro-7-methoxy-29-(oxomethyl)-2,23-dioxa-4,11,25,28-tetrazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11-pentaene-24,27-dione;(1R,18R,20R,24S,27S,28S)-24-tert-butyl-28-ethyl-13,14-difluoro-7-methoxy-27-(oxomethyl)-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;(1R,19R,24R,28S,31S,32S)-28-tert-butyl-7-methoxy-32-methyl-31-(oxomethyl)-2,25-dioxa-4,11,27,30-tetrazaheptacyclo[28.2.1.03,12.05,10.013,15.019,24.020,22]tritriaconta-3,5(10),6,8,11-pentaene-26,29-dione;tetrakis(vanadium) is CC[C@@H]1[C@@H]2CN(C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]3CCC[C@H]3CCCC(F)C(F)c3nc4ccc(OC)cc4nc3O2)[C@@H]1[C-]=O.CC[C@@H]1[C@@H]2CN(C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]3C[C@H]3CCCC(F)C(F)c3nc4ccc(OC)cc4nc3O2)[C@@H]1[C-]=O.CC[C@@H]1[C@@H]2CN(C(=O)[C@H](C(C)(C)C)NC(=O)O[C@]3(C)C[C@H]3CCCC(F)C(F)c3nc4ccc(OC)cc4nc3O2)[C@@H]1[C-]=O.COc1ccc2nc3c(nc2c1)O[C@H]1CN(C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]2CC4CC4[C@H]2CCCC2CC32)[C@H]([C-]=O)[C@@H]1C.[V].[V].[V].[V].
What is the InChIKey of (1R,18R,20R,24S,27S,28S)-24-tert-butyl-28-ethyl-13,14-difluoro-7-methoxy-20-methyl-27-(oxomethyl)-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;(1R,18S,22R,26S,29S,30S)-26-tert-butyl-30-ethyl-13,14-difluoro-7-methoxy-29-(oxomethyl)-2,23-dioxa-4,11,25,28-tetrazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11-pentaene-24,27-dione;(1R,18R,20R,24S,27S,28S)-24-tert-butyl-28-ethyl-13,14-difluoro-7-methoxy-27-(oxomethyl)-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;(1R,19R,24R,28S,31S,32S)-28-tert-butyl-7-methoxy-32-methyl-31-(oxomethyl)-2,25-dioxa-4,11,27,30-tetrazaheptacyclo[28.2.1.03,12.05,10.013,15.019,24.020,22]tritriaconta-3,5(10),6,8,11-pentaene-26,29-dione;tetrakis(vanadium)?
The InChIKey is BWFIKYCWZJNMHG-XYEFYVCKSA-N. The full InChI is InChI=1S/C34H43N4O6.C33H43F2N4O6.C32H41F2N4O6.C31H39F2N4O6.4V/c1-17-26(16-39)38-15-28(17)43-31-29(35-24-10-9-20(42-5)14-25(24)36-31)23-11-18(23)7-6-8-21-22-12-19(22)13-27(21)44-33(41)37-30(32(38)40)34(2,3)4;1-6-20-24(17-40)39-16-26(20)44-30-28(36-22-14-13-19(43-5)15-23(22)37-30)27(35)21(34)11-7-9-18-10-8-12-25(18)45-32(42)38-29(31(39)41)33(2,3)4;1-7-19-23(16-39)38-15-24(19)43-28-26(35-21-12-11-18(42-6)13-22(21)36-28)25(34)20(33)10-8-9-17-14-32(17,5)44-30(41)37-27(29(38)40)31(2,3)4;1-6-18-22(15-38)37-14-24(18)42-28-26(34-20-11-10-17(41-5)13-21(20)35-28)25(33)19(32)9-7-8-16-12-23(16)43-30(40)36-27(29(37)39)31(2,3)4;;;;/h9-10,14,17-19,21-23,26-28,30H,6-8,11-13,15H2,1-5H3,(H,37,41);13-15,18,20-21,24-27,29H,6-12,16H2,1-5H3,(H,38,42);11-13,17,19-20,23-25,27H,7-10,14-15H2,1-6H3,(H,37,41);10-11,13,16,18-19,22-25,27H,6-9,12,14H2,1-5H3,(H,36,40);;;;/q4*-1;;;;/t17-,18?,19?,21+,22?,23?,26+,27+,28-,30+;18-,20+,21?,24-,25-,26+,27?,29-;17-,19+,20?,23-,24+,25?,27-,32-;16-,18+,19?,22-,23-,24+,25?,27-;;;;/m0111..../s1.
What are the key properties of (1R,18R,20R,24S,27S,28S)-24-tert-butyl-28-ethyl-13,14-difluoro-7-methoxy-20-methyl-27-(oxomethyl)-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;(1R,18S,22R,26S,29S,30S)-26-tert-butyl-30-ethyl-13,14-difluoro-7-methoxy-29-(oxomethyl)-2,23-dioxa-4,11,25,28-tetrazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11-pentaene-24,27-dione;(1R,18R,20R,24S,27S,28S)-24-tert-butyl-28-ethyl-13,14-difluoro-7-methoxy-27-(oxomethyl)-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;(1R,19R,24R,28S,31S,32S)-28-tert-butyl-7-methoxy-32-methyl-31-(oxomethyl)-2,25-dioxa-4,11,27,30-tetrazaheptacyclo[28.2.1.03,12.05,10.013,15.019,24.020,22]tritriaconta-3,5(10),6,8,11-pentaene-26,29-dione;tetrakis(vanadium)?
(1R,18R,20R,24S,27S,28S)-24-tert-butyl-28-ethyl-13,14-difluoro-7-methoxy-20-methyl-27-(oxomethyl)-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;(1R,18S,22R,26S,29S,30S)-26-tert-butyl-30-ethyl-13,14-difluoro-7-methoxy-29-(oxomethyl)-2,23-dioxa-4,11,25,28-tetrazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11-pentaene-24,27-dione;(1R,18R,20R,24S,27S,28S)-24-tert-butyl-28-ethyl-13,14-difluoro-7-methoxy-27-(oxomethyl)-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;(1R,19R,24R,28S,31S,32S)-28-tert-butyl-7-methoxy-32-methyl-31-(oxomethyl)-2,25-dioxa-4,11,27,30-tetrazaheptacyclo[28.2.1.03,12.05,10.013,15.019,24.020,22]tritriaconta-3,5(10),6,8,11-pentaene-26,29-dione;tetrakis(vanadium) has a molecular weight of 2654.61 g/mol, XLogP of 20.34, 11 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,18R,20R,24S,27S,28S)-24-tert-butyl-28-ethyl-13,14-difluoro-7-methoxy-20-methyl-27-(oxomethyl)-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;(1R,18S,22R,26S,29S,30S)-26-tert-butyl-30-ethyl-13,14-difluoro-7-methoxy-29-(oxomethyl)-2,23-dioxa-4,11,25,28-tetrazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11-pentaene-24,27-dione;(1R,18R,20R,24S,27S,28S)-24-tert-butyl-28-ethyl-13,14-difluoro-7-methoxy-27-(oxomethyl)-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;(1R,19R,24R,28S,31S,32S)-28-tert-butyl-7-methoxy-32-methyl-31-(oxomethyl)-2,25-dioxa-4,11,27,30-tetrazaheptacyclo[28.2.1.03,12.05,10.013,15.019,24.020,22]tritriaconta-3,5(10),6,8,11-pentaene-26,29-dione;tetrakis(vanadium) is sourced from PubChem (CID 162016038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).