methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-4-ylphenyl)butyl]-2-[[4-(difluoromethoxy)phenyl]methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-3-ylphenyl)butyl]-2-[(2,6-difluorophenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-3-ylphenyl)butyl]-2-[(2,3,4-trifluorophenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]-2-benzylhydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

C147H181F7N20O33S — CID 160864347

IUPACmethyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-4-ylphenyl)butyl]-2-[[4-(difluoromethoxy)phenyl]methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-3-ylphenyl)butyl]-2-[(2,6-difluorophenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-3-ylphenyl)butyl]-2-[(2,3,4-trifluorophenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]-2-benzylhydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
SMILESCOC(=O)NC(C(=O)NN(Cc1c(F)cccc1F)CC(O)C(Cc1ccc(-c2cccnc2)cc1)NC(=O)OC1COC2OCCC12)C(C)(C)C.COC(=O)NC(C(=O)NN(Cc1ccc(F)c(F)c1F)CC(O)C(Cc1ccc(-c2cccnc2)cc1)NC(=O)OC1COC2OCCC12)C(C)(C)C.COC(=O)NC(C(=O)NN(Cc1ccc(OC(F)F)cc1)CC(O)C(Cc1ccc(-c2ccncc2)cc1)NC(=O)OC1COC2OCCC12)C(C)(C)C.COC(=O)NC(C(=O)NN(Cc1ccccc1)CC(O)C(Cc1ccc(-c2nccs2)cc1)NC(=O)OC1COC2OCCC12)C(C)(C)C
InChIInChI=1S/C38H47F2N5O9.C37H44F3N5O8.C37H45F2N5O8.C35H45N5O8S/c1-38(2,3)32(43-36(48)50-4)33(47)44-45(20-24-7-11-27(12-8-24)53-35(39)40)21-30(46)29(42-37(49)54-31-22-52-34-28(31)15-18-51-34)19-23-5-9-25(10-6-23)26-13-16-41-17-14-26;1-37(2,3)32(43-35(48)50-4)33(47)44-45(18-24-11-12-26(38)31(40)30(24)39)19-28(46)27(42-36(49)53-29-20-52-34-25(29)13-15-51-34)16-21-7-9-22(10-8-21)23-6-5-14-41-17-23;1-37(2,3)32(42-35(47)49-4)33(46)43-44(19-26-27(38)8-5-9-28(26)39)20-30(45)29(41-36(48)52-31-21-51-34-25(31)14-16-50-34)17-22-10-12-23(13-11-22)24-7-6-15-40-18-24;1-35(2,3)29(38-33(43)45-4)30(42)39-40(19-23-8-6-5-7-9-23)20-27(41)26(18-22-10-12-24(13-11-22)31-36-15-17-49-31)37-34(44)48-28-21-47-32-25(28)14-16-46-32/h5-14,16-17,28-32,34-35,46H,15,18-22H2,1-4H3,(H,42,49)(H,43,48)(H,44,47);5-12,14,17,25,27-29,32,34,46H,13,15-16,18-20H2,1-4H3,(H,42,49)(H,43,48)(H,44,47);5-13,15,18,25,29-32,34,45H,14,16-17,19-21H2,1-4H3,(H,41,48)(H,42,47)(H,43,46);5-13,15,17,25-29,32,41H,14,16,18-21H2,1-4H3,(H,37,44)(H,38,43)(H,39,42)
InChIKeySKXGSQOBEJEDTM-UHFFFAOYSA-N
MW2921.22 g/mol
LogP16.61
Rot. Bonds54

About methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-4-ylphenyl)butyl]-2-[[4-(difluoromethoxy)phenyl]methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-3-ylphenyl)butyl]-2-[(2,6-difluorophenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-3-ylphenyl)butyl]-2-[(2,3,4-trifluorophenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]-2-benzylhydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-4-ylphenyl)butyl]-2-[[4-(difluoromethoxy)phenyl]methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-3-ylphenyl)butyl]-2-[(2,6-difluorophenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-3-ylphenyl)butyl]-2-[(2,3,4-trifluorophenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]-2-benzylhydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate (PubChem CID 160864347) has the molecular formula C147H181F7N20O33S and a molecular weight of 2921.22 g/mol. Its IUPAC name is methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-4-ylphenyl)butyl]-2-[[4-(difluoromethoxy)phenyl]methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-3-ylphenyl)butyl]-2-[(2,6-difluorophenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-3-ylphenyl)butyl]-2-[(2,3,4-trifluorophenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]-2-benzylhydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-4-ylphenyl)butyl]-2-[[4-(difluoromethoxy)phenyl]methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-3-ylphenyl)butyl]-2-[(2,6-difluorophenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-3-ylphenyl)butyl]-2-[(2,3,4-trifluorophenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]-2-benzylhydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
PubChem CID160864347
Molecular FormulaC147H181F7N20O33S
Molecular Weight2921.22 g/mol
Exact Mass2919.27
IUPAC Namemethyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-4-ylphenyl)butyl]-2-[[4-(difluoromethoxy)phenyl]methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-3-ylphenyl)butyl]-2-[(2,6-difluorophenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-3-ylphenyl)butyl]-2-[(2,3,4-trifluorophenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]-2-benzylhydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
SMILESCOC(=O)NC(C(=O)NN(Cc1c(F)cccc1F)CC(O)C(Cc1ccc(-c2cccnc2)cc1)NC(=O)OC1COC2OCCC12)C(C)(C)C.COC(=O)NC(C(=O)NN(Cc1ccc(F)c(F)c1F)CC(O)C(Cc1ccc(-c2cccnc2)cc1)NC(=O)OC1COC2OCCC12)C(C)(C)C.COC(=O)NC(C(=O)NN(Cc1ccc(OC(F)F)cc1)CC(O)C(Cc1ccc(-c2ccncc2)cc1)NC(=O)OC1COC2OCCC12)C(C)(C)C.COC(=O)NC(C(=O)NN(Cc1ccccc1)CC(O)C(Cc1ccc(-c2nccs2)cc1)NC(=O)OC1COC2OCCC12)C(C)(C)C
InChIInChI=1S/C38H47F2N5O9.C37H44F3N5O8.C37H45F2N5O8.C35H45N5O8S/c1-38(2,3)32(43-36(48)50-4)33(47)44-45(20-24-7-11-27(12-8-24)53-35(39)40)21-30(46)29(42-37(49)54-31-22-52-34-28(31)15-18-51-34)19-23-5-9-25(10-6-23)26-13-16-41-17-14-26;1-37(2,3)32(43-35(48)50-4)33(47)44-45(18-24-11-12-26(38)31(40)30(24)39)19-28(46)27(42-36(49)53-29-20-52-34-25(29)13-15-51-34)16-21-7-9-22(10-8-21)23-6-5-14-41-17-23;1-37(2,3)32(42-35(47)49-4)33(46)43-44(19-26-27(38)8-5-9-28(26)39)20-30(45)29(41-36(48)52-31-21-51-34-25(31)14-16-50-34)17-22-10-12-23(13-11-22)24-7-6-15-40-18-24;1-35(2,3)29(38-33(43)45-4)30(42)39-40(19-23-8-6-5-7-9-23)20-27(41)26(18-22-10-12-24(13-11-22)31-36-15-17-49-31)37-34(44)48-28-21-47-32-25(28)14-16-46-32/h5-14,16-17,28-32,34-35,46H,15,18-22H2,1-4H3,(H,42,49)(H,43,48)(H,44,47);5-12,14,17,25,27-29,32,34,46H,13,15-16,18-20H2,1-4H3,(H,42,49)(H,43,48)(H,44,47);5-13,15,18,25,29-32,34,45H,14,16-17,19-21H2,1-4H3,(H,41,48)(H,42,47)(H,43,46);5-13,15,17,25-29,32,41H,14,16,18-21H2,1-4H3,(H,37,44)(H,38,43)(H,39,42)
InChIKeySKXGSQOBEJEDTM-UHFFFAOYSA-N
XLogP16.61
TPSA651.55 Ų
H-Bond Donors16
H-Bond Acceptors42
Rotatable Bonds54
Heavy Atoms208
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002921.22
LogP ≤ 516.61
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-4-ylphenyl)butyl]-2-[[4-(difluoromethoxy)phenyl]methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-3-ylphenyl)butyl]-2-[(2,6-difluorophenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-3-ylphenyl)butyl]-2-[(2,3,4-trifluorophenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]-2-benzylhydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-4-ylphenyl)butyl]-2-[[4-(difluoromethoxy)phenyl]methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-3-ylphenyl)butyl]-2-[(2,6-difluorophenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-3-ylphenyl)butyl]-2-[(2,3,4-trifluorophenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]-2-benzylhydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-4-ylphenyl)butyl]-2-[[4-(difluoromethoxy)phenyl]methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-3-ylphenyl)butyl]-2-[(2,6-difluorophenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-3-ylphenyl)butyl]-2-[(2,3,4-trifluorophenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]-2-benzylhydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate (CID 160864347) is methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-4-ylphenyl)butyl]-2-[[4-(difluoromethoxy)phenyl]methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-3-ylphenyl)butyl]-2-[(2,6-difluorophenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-3-ylphenyl)butyl]-2-[(2,3,4-trifluorophenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]-2-benzylhydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-4-ylphenyl)butyl]-2-[[4-(difluoromethoxy)phenyl]methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-3-ylphenyl)butyl]-2-[(2,6-difluorophenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-3-ylphenyl)butyl]-2-[(2,3,4-trifluorophenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]-2-benzylhydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-4-ylphenyl)butyl]-2-[[4-(difluoromethoxy)phenyl]methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-3-ylphenyl)butyl]-2-[(2,6-difluorophenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-3-ylphenyl)butyl]-2-[(2,3,4-trifluorophenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]-2-benzylhydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate is COC(=O)NC(C(=O)NN(Cc1c(F)cccc1F)CC(O)C(Cc1ccc(-c2cccnc2)cc1)NC(=O)OC1COC2OCCC12)C(C)(C)C.COC(=O)NC(C(=O)NN(Cc1ccc(F)c(F)c1F)CC(O)C(Cc1ccc(-c2cccnc2)cc1)NC(=O)OC1COC2OCCC12)C(C)(C)C.COC(=O)NC(C(=O)NN(Cc1ccc(OC(F)F)cc1)CC(O)C(Cc1ccc(-c2ccncc2)cc1)NC(=O)OC1COC2OCCC12)C(C)(C)C.COC(=O)NC(C(=O)NN(Cc1ccccc1)CC(O)C(Cc1ccc(-c2nccs2)cc1)NC(=O)OC1COC2OCCC12)C(C)(C)C.
What is the InChIKey of methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-4-ylphenyl)butyl]-2-[[4-(difluoromethoxy)phenyl]methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-3-ylphenyl)butyl]-2-[(2,6-difluorophenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-3-ylphenyl)butyl]-2-[(2,3,4-trifluorophenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]-2-benzylhydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
The InChIKey is SKXGSQOBEJEDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H47F2N5O9.C37H44F3N5O8.C37H45F2N5O8.C35H45N5O8S/c1-38(2,3)32(43-36(48)50-4)33(47)44-45(20-24-7-11-27(12-8-24)53-35(39)40)21-30(46)29(42-37(49)54-31-22-52-34-28(31)15-18-51-34)19-23-5-9-25(10-6-23)26-13-16-41-17-14-26;1-37(2,3)32(43-35(48)50-4)33(47)44-45(18-24-11-12-26(38)31(40)30(24)39)19-28(46)27(42-36(49)53-29-20-52-34-25(29)13-15-51-34)16-21-7-9-22(10-8-21)23-6-5-14-41-17-23;1-37(2,3)32(42-35(47)49-4)33(46)43-44(19-26-27(38)8-5-9-28(26)39)20-30(45)29(41-36(48)52-31-21-51-34-25(31)14-16-50-34)17-22-10-12-23(13-11-22)24-7-6-15-40-18-24;1-35(2,3)29(38-33(43)45-4)30(42)39-40(19-23-8-6-5-7-9-23)20-27(41)26(18-22-10-12-24(13-11-22)31-36-15-17-49-31)37-34(44)48-28-21-47-32-25(28)14-16-46-32/h5-14,16-17,28-32,34-35,46H,15,18-22H2,1-4H3,(H,42,49)(H,43,48)(H,44,47);5-12,14,17,25,27-29,32,34,46H,13,15-16,18-20H2,1-4H3,(H,42,49)(H,43,48)(H,44,47);5-13,15,18,25,29-32,34,45H,14,16-17,19-21H2,1-4H3,(H,41,48)(H,42,47)(H,43,46);5-13,15,17,25-29,32,41H,14,16,18-21H2,1-4H3,(H,37,44)(H,38,43)(H,39,42).
What are the key properties of methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-4-ylphenyl)butyl]-2-[[4-(difluoromethoxy)phenyl]methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-3-ylphenyl)butyl]-2-[(2,6-difluorophenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-3-ylphenyl)butyl]-2-[(2,3,4-trifluorophenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]-2-benzylhydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-4-ylphenyl)butyl]-2-[[4-(difluoromethoxy)phenyl]methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-3-ylphenyl)butyl]-2-[(2,6-difluorophenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-3-ylphenyl)butyl]-2-[(2,3,4-trifluorophenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]-2-benzylhydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate has a molecular weight of 2921.22 g/mol, XLogP of 16.61, 54 rotatable bonds, 16 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-4-ylphenyl)butyl]-2-[[4-(difluoromethoxy)phenyl]methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-3-ylphenyl)butyl]-2-[(2,6-difluorophenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-(4-pyridin-3-ylphenyl)butyl]-2-[(2,3,4-trifluorophenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;methyl N-[1-[2-[3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-2-hydroxy-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]-2-benzylhydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 160864347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).