(1R,18R,22R,26S,29S,30S)-13,13-difluoro-7-methoxy-22,30-dimethyl-26-(4-methyloxan-4-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[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)-13,13-difluoro-7-methoxy-20,28-dimethyl-24-(4-methyloxan-4-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;(1R,18R,23R,27S,30S,31S)-13,13-difluoro-7-methoxy-31-methyl-27-(4-methyloxan-4-yl)-30-(oxomethyl)-2,24-dioxa-4,11,29-triazahexacyclo[27.2.1.03,12.05,10.018,23.019,21]dotriaconta-3,5(10),6,8,11-pentaene-25,28-dione;(1R,18R,22R,26S,29S,30S)-13,13-difluoro-7-methoxy-30-methyl-26-(4-methyloxan-4-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[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)-13,13-difluoro-7-methoxy-28-methyl-24-(4-methyloxan-4-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;pentakis(vanadium)

C174H216F10N15O35V5-5 — CID 161376331

IUPAC(1R,18R,22R,26S,29S,30S)-13,13-difluoro-7-methoxy-22,30-dimethyl-26-(4-methyloxan-4-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[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)-13,13-difluoro-7-methoxy-20,28-dimethyl-24-(4-methyloxan-4-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;(1R,18R,23R,27S,30S,31S)-13,13-difluoro-7-methoxy-31-methyl-27-(4-methyloxan-4-yl)-30-(oxomethyl)-2,24-dioxa-4,11,29-triazahexacyclo[27.2.1.03,12.05,10.018,23.019,21]dotriaconta-3,5(10),6,8,11-pentaene-25,28-dione;(1R,18R,22R,26S,29S,30S)-13,13-difluoro-7-methoxy-30-methyl-26-(4-methyloxan-4-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[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)-13,13-difluoro-7-methoxy-28-methyl-24-(4-methyloxan-4-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;pentakis(vanadium)
SMILESCOc1ccc2nc3c(nc2c1)O[C@H]1CN(C(=O)[C@H](C2(C)CCOCC2)CC(=O)O[C@@H]2CC4CC4[C@H]2CCCCC3(F)F)[C@H]([C-]=O)[C@@H]1C.COc1ccc2nc3c(nc2c1)O[C@H]1CN(C(=O)[C@H](C2(C)CCOCC2)CC(=O)O[C@@H]2CCC[C@H]2CCCCC3(F)F)[C@H]([C-]=O)[C@@H]1C.COc1ccc2nc3c(nc2c1)O[C@H]1CN(C(=O)[C@H](C2(C)CCOCC2)CC(=O)O[C@@H]2C[C@H]2CCCCC3(F)F)[C@H]([C-]=O)[C@@H]1C.COc1ccc2nc3c(nc2c1)O[C@H]1CN(C(=O)[C@H](C2(C)CCOCC2)CC(=O)O[C@]2(C)CCC[C@H]2CCCCC3(F)F)[C@H]([C-]=O)[C@@H]1C.COc1ccc2nc3c(nc2c1)O[C@H]1CN(C(=O)[C@H](C2(C)CCOCC2)CC(=O)O[C@]2(C)C[C@H]2CCCCC3(F)F)[C@H]([C-]=O)[C@@H]1C.[V].[V].[V].[V].[V]
InChIInChI=1S/C36H44F2N3O7.C36H46F2N3O7.C35H44F2N3O7.C34H42F2N3O7.C33H40F2N3O7.5V/c1-20-28(19-42)41-18-30(20)48-33-32(39-26-8-7-22(45-3)16-27(26)40-33)36(37,38)9-5-4-6-23-24-14-21(24)15-29(23)47-31(43)17-25(34(41)44)35(2)10-12-46-13-11-35;1-22-28(21-42)41-20-29(22)47-32-31(39-26-11-10-24(45-4)18-27(26)40-32)36(37,38)13-6-5-8-23-9-7-12-35(23,3)48-30(43)19-25(33(41)44)34(2)14-16-46-17-15-34;1-21-27(20-41)40-19-29(21)47-32-31(38-25-11-10-23(44-3)17-26(25)39-32)35(36,37)12-5-4-7-22-8-6-9-28(22)46-30(42)18-24(33(40)43)34(2)13-15-45-16-14-34;1-20-26(19-40)39-18-27(20)45-30-29(37-24-9-8-22(43-4)15-25(24)38-30)34(35,36)10-6-5-7-21-17-33(21,3)46-28(41)16-23(31(39)42)32(2)11-13-44-14-12-32;1-19-25(18-39)38-17-27(19)45-30-29(36-23-8-7-21(42-3)15-24(23)37-30)33(34,35)9-5-4-6-20-14-26(20)44-28(40)16-22(31(38)41)32(2)10-12-43-13-11-32;;;;;/h7-8,16,20-21,23-25,28-30H,4-6,9-15,17-18H2,1-3H3;10-11,18,22-23,25,28-29H,5-9,12-17,19-20H2,1-4H3;10-11,17,21-22,24,27-29H,4-9,12-16,18-19H2,1-3H3;8-9,15,20-21,23,26-27H,5-7,10-14,16-18H2,1-4H3;7-8,15,19-20,22,25-27H,4-6,9-14,16-17H2,1-3H3;;;;;/q5*-1;;;;;/t20-,21?,23+,24?,25+,28+,29+,30-;22-,23+,25+,28+,29-,35+;21-,22+,24+,27+,28+,29-;20-,21+,23+,26+,27-,33+;19-,20+,22+,25+,26+,27-;;;;;/m00000...../s1
InChIKeyBAFLVHOOOVINEM-OFRVJGOUSA-N
MW3522.41 g/mol
LogP26.78
Rot. Bonds15

About (1R,18R,22R,26S,29S,30S)-13,13-difluoro-7-methoxy-22,30-dimethyl-26-(4-methyloxan-4-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[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)-13,13-difluoro-7-methoxy-20,28-dimethyl-24-(4-methyloxan-4-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;(1R,18R,23R,27S,30S,31S)-13,13-difluoro-7-methoxy-31-methyl-27-(4-methyloxan-4-yl)-30-(oxomethyl)-2,24-dioxa-4,11,29-triazahexacyclo[27.2.1.03,12.05,10.018,23.019,21]dotriaconta-3,5(10),6,8,11-pentaene-25,28-dione;(1R,18R,22R,26S,29S,30S)-13,13-difluoro-7-methoxy-30-methyl-26-(4-methyloxan-4-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[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)-13,13-difluoro-7-methoxy-28-methyl-24-(4-methyloxan-4-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;pentakis(vanadium)

(1R,18R,22R,26S,29S,30S)-13,13-difluoro-7-methoxy-22,30-dimethyl-26-(4-methyloxan-4-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[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)-13,13-difluoro-7-methoxy-20,28-dimethyl-24-(4-methyloxan-4-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;(1R,18R,23R,27S,30S,31S)-13,13-difluoro-7-methoxy-31-methyl-27-(4-methyloxan-4-yl)-30-(oxomethyl)-2,24-dioxa-4,11,29-triazahexacyclo[27.2.1.03,12.05,10.018,23.019,21]dotriaconta-3,5(10),6,8,11-pentaene-25,28-dione;(1R,18R,22R,26S,29S,30S)-13,13-difluoro-7-methoxy-30-methyl-26-(4-methyloxan-4-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[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)-13,13-difluoro-7-methoxy-28-methyl-24-(4-methyloxan-4-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;pentakis(vanadium) (PubChem CID 161376331) has the molecular formula C174H216F10N15O35V5-5 and a molecular weight of 3522.41 g/mol. Its IUPAC name is (1R,18R,22R,26S,29S,30S)-13,13-difluoro-7-methoxy-22,30-dimethyl-26-(4-methyloxan-4-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[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)-13,13-difluoro-7-methoxy-20,28-dimethyl-24-(4-methyloxan-4-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;(1R,18R,23R,27S,30S,31S)-13,13-difluoro-7-methoxy-31-methyl-27-(4-methyloxan-4-yl)-30-(oxomethyl)-2,24-dioxa-4,11,29-triazahexacyclo[27.2.1.03,12.05,10.018,23.019,21]dotriaconta-3,5(10),6,8,11-pentaene-25,28-dione;(1R,18R,22R,26S,29S,30S)-13,13-difluoro-7-methoxy-30-methyl-26-(4-methyloxan-4-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[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)-13,13-difluoro-7-methoxy-28-methyl-24-(4-methyloxan-4-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;pentakis(vanadium).

Molecular Properties

Compound Name(1R,18R,22R,26S,29S,30S)-13,13-difluoro-7-methoxy-22,30-dimethyl-26-(4-methyloxan-4-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[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)-13,13-difluoro-7-methoxy-20,28-dimethyl-24-(4-methyloxan-4-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;(1R,18R,23R,27S,30S,31S)-13,13-difluoro-7-methoxy-31-methyl-27-(4-methyloxan-4-yl)-30-(oxomethyl)-2,24-dioxa-4,11,29-triazahexacyclo[27.2.1.03,12.05,10.018,23.019,21]dotriaconta-3,5(10),6,8,11-pentaene-25,28-dione;(1R,18R,22R,26S,29S,30S)-13,13-difluoro-7-methoxy-30-methyl-26-(4-methyloxan-4-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[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)-13,13-difluoro-7-methoxy-28-methyl-24-(4-methyloxan-4-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;pentakis(vanadium)
PubChem CID161376331
Molecular FormulaC174H216F10N15O35V5-5
Molecular Weight3522.41 g/mol
Exact Mass3520.26
IUPAC Name(1R,18R,22R,26S,29S,30S)-13,13-difluoro-7-methoxy-22,30-dimethyl-26-(4-methyloxan-4-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[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)-13,13-difluoro-7-methoxy-20,28-dimethyl-24-(4-methyloxan-4-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;(1R,18R,23R,27S,30S,31S)-13,13-difluoro-7-methoxy-31-methyl-27-(4-methyloxan-4-yl)-30-(oxomethyl)-2,24-dioxa-4,11,29-triazahexacyclo[27.2.1.03,12.05,10.018,23.019,21]dotriaconta-3,5(10),6,8,11-pentaene-25,28-dione;(1R,18R,22R,26S,29S,30S)-13,13-difluoro-7-methoxy-30-methyl-26-(4-methyloxan-4-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[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)-13,13-difluoro-7-methoxy-28-methyl-24-(4-methyloxan-4-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;pentakis(vanadium)
SMILESCOc1ccc2nc3c(nc2c1)O[C@H]1CN(C(=O)[C@H](C2(C)CCOCC2)CC(=O)O[C@@H]2CC4CC4[C@H]2CCCCC3(F)F)[C@H]([C-]=O)[C@@H]1C.COc1ccc2nc3c(nc2c1)O[C@H]1CN(C(=O)[C@H](C2(C)CCOCC2)CC(=O)O[C@@H]2CCC[C@H]2CCCCC3(F)F)[C@H]([C-]=O)[C@@H]1C.COc1ccc2nc3c(nc2c1)O[C@H]1CN(C(=O)[C@H](C2(C)CCOCC2)CC(=O)O[C@@H]2C[C@H]2CCCCC3(F)F)[C@H]([C-]=O)[C@@H]1C.COc1ccc2nc3c(nc2c1)O[C@H]1CN(C(=O)[C@H](C2(C)CCOCC2)CC(=O)O[C@]2(C)CCC[C@H]2CCCCC3(F)F)[C@H]([C-]=O)[C@@H]1C.COc1ccc2nc3c(nc2c1)O[C@H]1CN(C(=O)[C@H](C2(C)CCOCC2)CC(=O)O[C@]2(C)C[C@H]2CCCCC3(F)F)[C@H]([C-]=O)[C@@H]1C.[V].[V].[V].[V].[V]
InChIInChI=1S/C36H44F2N3O7.C36H46F2N3O7.C35H44F2N3O7.C34H42F2N3O7.C33H40F2N3O7.5V/c1-20-28(19-42)41-18-30(20)48-33-32(39-26-8-7-22(45-3)16-27(26)40-33)36(37,38)9-5-4-6-23-24-14-21(24)15-29(23)47-31(43)17-25(34(41)44)35(2)10-12-46-13-11-35;1-22-28(21-42)41-20-29(22)47-32-31(39-26-11-10-24(45-4)18-27(26)40-32)36(37,38)13-6-5-8-23-9-7-12-35(23,3)48-30(43)19-25(33(41)44)34(2)14-16-46-17-15-34;1-21-27(20-41)40-19-29(21)47-32-31(38-25-11-10-23(44-3)17-26(25)39-32)35(36,37)12-5-4-7-22-8-6-9-28(22)46-30(42)18-24(33(40)43)34(2)13-15-45-16-14-34;1-20-26(19-40)39-18-27(20)45-30-29(37-24-9-8-22(43-4)15-25(24)38-30)34(35,36)10-6-5-7-21-17-33(21,3)46-28(41)16-23(31(39)42)32(2)11-13-44-14-12-32;1-19-25(18-39)38-17-27(19)45-30-29(36-23-8-7-21(42-3)15-24(23)37-30)33(34,35)9-5-4-6-20-14-26(20)44-28(40)16-22(31(38)41)32(2)10-12-43-13-11-32;;;;;/h7-8,16,20-21,23-25,28-30H,4-6,9-15,17-18H2,1-3H3;10-11,18,22-23,25,28-29H,5-9,12-17,19-20H2,1-4H3;10-11,17,21-22,24,27-29H,4-9,12-16,18-19H2,1-3H3;8-9,15,20-21,23,26-27H,5-7,10-14,16-18H2,1-4H3;7-8,15,19-20,22,25-27H,4-6,9-14,16-17H2,1-3H3;;;;;/q5*-1;;;;;/t20-,21?,23+,24?,25+,28+,29+,30-;22-,23+,25+,28+,29-,35+;21-,22+,24+,27+,28+,29-;20-,21+,23+,26+,27-,33+;19-,20+,22+,25+,26+,27-;;;;;/m00000...../s1
InChIKeyBAFLVHOOOVINEM-OFRVJGOUSA-N
XLogP26.78
TPSA585.75 Ų
H-Bond Donors
H-Bond Acceptors45
Rotatable Bonds15
Heavy Atoms239
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003522.41
LogP ≤ 526.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1045

Analyze (1R,18R,22R,26S,29S,30S)-13,13-difluoro-7-methoxy-22,30-dimethyl-26-(4-methyloxan-4-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[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)-13,13-difluoro-7-methoxy-20,28-dimethyl-24-(4-methyloxan-4-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;(1R,18R,23R,27S,30S,31S)-13,13-difluoro-7-methoxy-31-methyl-27-(4-methyloxan-4-yl)-30-(oxomethyl)-2,24-dioxa-4,11,29-triazahexacyclo[27.2.1.03,12.05,10.018,23.019,21]dotriaconta-3,5(10),6,8,11-pentaene-25,28-dione;(1R,18R,22R,26S,29S,30S)-13,13-difluoro-7-methoxy-30-methyl-26-(4-methyloxan-4-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[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)-13,13-difluoro-7-methoxy-28-methyl-24-(4-methyloxan-4-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;pentakis(vanadium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,18R,22R,26S,29S,30S)-13,13-difluoro-7-methoxy-22,30-dimethyl-26-(4-methyloxan-4-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[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)-13,13-difluoro-7-methoxy-20,28-dimethyl-24-(4-methyloxan-4-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;(1R,18R,23R,27S,30S,31S)-13,13-difluoro-7-methoxy-31-methyl-27-(4-methyloxan-4-yl)-30-(oxomethyl)-2,24-dioxa-4,11,29-triazahexacyclo[27.2.1.03,12.05,10.018,23.019,21]dotriaconta-3,5(10),6,8,11-pentaene-25,28-dione;(1R,18R,22R,26S,29S,30S)-13,13-difluoro-7-methoxy-30-methyl-26-(4-methyloxan-4-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[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)-13,13-difluoro-7-methoxy-28-methyl-24-(4-methyloxan-4-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;pentakis(vanadium)?
The IUPAC name of (1R,18R,22R,26S,29S,30S)-13,13-difluoro-7-methoxy-22,30-dimethyl-26-(4-methyloxan-4-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[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)-13,13-difluoro-7-methoxy-20,28-dimethyl-24-(4-methyloxan-4-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;(1R,18R,23R,27S,30S,31S)-13,13-difluoro-7-methoxy-31-methyl-27-(4-methyloxan-4-yl)-30-(oxomethyl)-2,24-dioxa-4,11,29-triazahexacyclo[27.2.1.03,12.05,10.018,23.019,21]dotriaconta-3,5(10),6,8,11-pentaene-25,28-dione;(1R,18R,22R,26S,29S,30S)-13,13-difluoro-7-methoxy-30-methyl-26-(4-methyloxan-4-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[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)-13,13-difluoro-7-methoxy-28-methyl-24-(4-methyloxan-4-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;pentakis(vanadium) (CID 161376331) is (1R,18R,22R,26S,29S,30S)-13,13-difluoro-7-methoxy-22,30-dimethyl-26-(4-methyloxan-4-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[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)-13,13-difluoro-7-methoxy-20,28-dimethyl-24-(4-methyloxan-4-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;(1R,18R,23R,27S,30S,31S)-13,13-difluoro-7-methoxy-31-methyl-27-(4-methyloxan-4-yl)-30-(oxomethyl)-2,24-dioxa-4,11,29-triazahexacyclo[27.2.1.03,12.05,10.018,23.019,21]dotriaconta-3,5(10),6,8,11-pentaene-25,28-dione;(1R,18R,22R,26S,29S,30S)-13,13-difluoro-7-methoxy-30-methyl-26-(4-methyloxan-4-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[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)-13,13-difluoro-7-methoxy-28-methyl-24-(4-methyloxan-4-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;pentakis(vanadium).
What is the SMILES notation for (1R,18R,22R,26S,29S,30S)-13,13-difluoro-7-methoxy-22,30-dimethyl-26-(4-methyloxan-4-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[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)-13,13-difluoro-7-methoxy-20,28-dimethyl-24-(4-methyloxan-4-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;(1R,18R,23R,27S,30S,31S)-13,13-difluoro-7-methoxy-31-methyl-27-(4-methyloxan-4-yl)-30-(oxomethyl)-2,24-dioxa-4,11,29-triazahexacyclo[27.2.1.03,12.05,10.018,23.019,21]dotriaconta-3,5(10),6,8,11-pentaene-25,28-dione;(1R,18R,22R,26S,29S,30S)-13,13-difluoro-7-methoxy-30-methyl-26-(4-methyloxan-4-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[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)-13,13-difluoro-7-methoxy-28-methyl-24-(4-methyloxan-4-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;pentakis(vanadium)?
The canonical SMILES for (1R,18R,22R,26S,29S,30S)-13,13-difluoro-7-methoxy-22,30-dimethyl-26-(4-methyloxan-4-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[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)-13,13-difluoro-7-methoxy-20,28-dimethyl-24-(4-methyloxan-4-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;(1R,18R,23R,27S,30S,31S)-13,13-difluoro-7-methoxy-31-methyl-27-(4-methyloxan-4-yl)-30-(oxomethyl)-2,24-dioxa-4,11,29-triazahexacyclo[27.2.1.03,12.05,10.018,23.019,21]dotriaconta-3,5(10),6,8,11-pentaene-25,28-dione;(1R,18R,22R,26S,29S,30S)-13,13-difluoro-7-methoxy-30-methyl-26-(4-methyloxan-4-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[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)-13,13-difluoro-7-methoxy-28-methyl-24-(4-methyloxan-4-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;pentakis(vanadium) is COc1ccc2nc3c(nc2c1)O[C@H]1CN(C(=O)[C@H](C2(C)CCOCC2)CC(=O)O[C@@H]2CC4CC4[C@H]2CCCCC3(F)F)[C@H]([C-]=O)[C@@H]1C.COc1ccc2nc3c(nc2c1)O[C@H]1CN(C(=O)[C@H](C2(C)CCOCC2)CC(=O)O[C@@H]2CCC[C@H]2CCCCC3(F)F)[C@H]([C-]=O)[C@@H]1C.COc1ccc2nc3c(nc2c1)O[C@H]1CN(C(=O)[C@H](C2(C)CCOCC2)CC(=O)O[C@@H]2C[C@H]2CCCCC3(F)F)[C@H]([C-]=O)[C@@H]1C.COc1ccc2nc3c(nc2c1)O[C@H]1CN(C(=O)[C@H](C2(C)CCOCC2)CC(=O)O[C@]2(C)CCC[C@H]2CCCCC3(F)F)[C@H]([C-]=O)[C@@H]1C.COc1ccc2nc3c(nc2c1)O[C@H]1CN(C(=O)[C@H](C2(C)CCOCC2)CC(=O)O[C@]2(C)C[C@H]2CCCCC3(F)F)[C@H]([C-]=O)[C@@H]1C.[V].[V].[V].[V].[V].
What is the InChIKey of (1R,18R,22R,26S,29S,30S)-13,13-difluoro-7-methoxy-22,30-dimethyl-26-(4-methyloxan-4-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[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)-13,13-difluoro-7-methoxy-20,28-dimethyl-24-(4-methyloxan-4-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;(1R,18R,23R,27S,30S,31S)-13,13-difluoro-7-methoxy-31-methyl-27-(4-methyloxan-4-yl)-30-(oxomethyl)-2,24-dioxa-4,11,29-triazahexacyclo[27.2.1.03,12.05,10.018,23.019,21]dotriaconta-3,5(10),6,8,11-pentaene-25,28-dione;(1R,18R,22R,26S,29S,30S)-13,13-difluoro-7-methoxy-30-methyl-26-(4-methyloxan-4-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[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)-13,13-difluoro-7-methoxy-28-methyl-24-(4-methyloxan-4-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;pentakis(vanadium)?
The InChIKey is BAFLVHOOOVINEM-OFRVJGOUSA-N. The full InChI is InChI=1S/C36H44F2N3O7.C36H46F2N3O7.C35H44F2N3O7.C34H42F2N3O7.C33H40F2N3O7.5V/c1-20-28(19-42)41-18-30(20)48-33-32(39-26-8-7-22(45-3)16-27(26)40-33)36(37,38)9-5-4-6-23-24-14-21(24)15-29(23)47-31(43)17-25(34(41)44)35(2)10-12-46-13-11-35;1-22-28(21-42)41-20-29(22)47-32-31(39-26-11-10-24(45-4)18-27(26)40-32)36(37,38)13-6-5-8-23-9-7-12-35(23,3)48-30(43)19-25(33(41)44)34(2)14-16-46-17-15-34;1-21-27(20-41)40-19-29(21)47-32-31(38-25-11-10-23(44-3)17-26(25)39-32)35(36,37)12-5-4-7-22-8-6-9-28(22)46-30(42)18-24(33(40)43)34(2)13-15-45-16-14-34;1-20-26(19-40)39-18-27(20)45-30-29(37-24-9-8-22(43-4)15-25(24)38-30)34(35,36)10-6-5-7-21-17-33(21,3)46-28(41)16-23(31(39)42)32(2)11-13-44-14-12-32;1-19-25(18-39)38-17-27(19)45-30-29(36-23-8-7-21(42-3)15-24(23)37-30)33(34,35)9-5-4-6-20-14-26(20)44-28(40)16-22(31(38)41)32(2)10-12-43-13-11-32;;;;;/h7-8,16,20-21,23-25,28-30H,4-6,9-15,17-18H2,1-3H3;10-11,18,22-23,25,28-29H,5-9,12-17,19-20H2,1-4H3;10-11,17,21-22,24,27-29H,4-9,12-16,18-19H2,1-3H3;8-9,15,20-21,23,26-27H,5-7,10-14,16-18H2,1-4H3;7-8,15,19-20,22,25-27H,4-6,9-14,16-17H2,1-3H3;;;;;/q5*-1;;;;;/t20-,21?,23+,24?,25+,28+,29+,30-;22-,23+,25+,28+,29-,35+;21-,22+,24+,27+,28+,29-;20-,21+,23+,26+,27-,33+;19-,20+,22+,25+,26+,27-;;;;;/m00000...../s1.
What are the key properties of (1R,18R,22R,26S,29S,30S)-13,13-difluoro-7-methoxy-22,30-dimethyl-26-(4-methyloxan-4-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[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)-13,13-difluoro-7-methoxy-20,28-dimethyl-24-(4-methyloxan-4-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;(1R,18R,23R,27S,30S,31S)-13,13-difluoro-7-methoxy-31-methyl-27-(4-methyloxan-4-yl)-30-(oxomethyl)-2,24-dioxa-4,11,29-triazahexacyclo[27.2.1.03,12.05,10.018,23.019,21]dotriaconta-3,5(10),6,8,11-pentaene-25,28-dione;(1R,18R,22R,26S,29S,30S)-13,13-difluoro-7-methoxy-30-methyl-26-(4-methyloxan-4-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[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)-13,13-difluoro-7-methoxy-28-methyl-24-(4-methyloxan-4-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;pentakis(vanadium)?
(1R,18R,22R,26S,29S,30S)-13,13-difluoro-7-methoxy-22,30-dimethyl-26-(4-methyloxan-4-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[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)-13,13-difluoro-7-methoxy-20,28-dimethyl-24-(4-methyloxan-4-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;(1R,18R,23R,27S,30S,31S)-13,13-difluoro-7-methoxy-31-methyl-27-(4-methyloxan-4-yl)-30-(oxomethyl)-2,24-dioxa-4,11,29-triazahexacyclo[27.2.1.03,12.05,10.018,23.019,21]dotriaconta-3,5(10),6,8,11-pentaene-25,28-dione;(1R,18R,22R,26S,29S,30S)-13,13-difluoro-7-methoxy-30-methyl-26-(4-methyloxan-4-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[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)-13,13-difluoro-7-methoxy-28-methyl-24-(4-methyloxan-4-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;pentakis(vanadium) has a molecular weight of 3522.41 g/mol, XLogP of 26.78, 15 rotatable bonds, 0 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,18R,22R,26S,29S,30S)-13,13-difluoro-7-methoxy-22,30-dimethyl-26-(4-methyloxan-4-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[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)-13,13-difluoro-7-methoxy-20,28-dimethyl-24-(4-methyloxan-4-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;(1R,18R,23R,27S,30S,31S)-13,13-difluoro-7-methoxy-31-methyl-27-(4-methyloxan-4-yl)-30-(oxomethyl)-2,24-dioxa-4,11,29-triazahexacyclo[27.2.1.03,12.05,10.018,23.019,21]dotriaconta-3,5(10),6,8,11-pentaene-25,28-dione;(1R,18R,22R,26S,29S,30S)-13,13-difluoro-7-methoxy-30-methyl-26-(4-methyloxan-4-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[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)-13,13-difluoro-7-methoxy-28-methyl-24-(4-methyloxan-4-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;pentakis(vanadium) is sourced from PubChem (CID 161376331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).