methane;1,3-thiazol-5-ylmethyl N-[5-[[4-(4,4-difluoropiperidin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(4-ethylsulfonylpiperazin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(4-fluoropiperidin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-[4-(trifluoromethyl)piperidin-1-yl]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate

C170H235F6N29O18S9 — CID 159994633

IUPACmethane;1,3-thiazol-5-ylmethyl N-[5-[[4-(4,4-difluoropiperidin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(4-ethylsulfonylpiperazin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(4-fluoropiperidin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-[4-(trifluoromethyl)piperidin-1-yl]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
SMILESC.C.C.C.CC(C)c1nc(CN(C)C(=O)NC(CCN2CCC(C(F)(F)F)CC2)C(=O)NC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CC(C)c1nc(CN(C)C(=O)NC(CCN2CCC(F)(F)CC2)C(=O)NC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CC(C)c1nc(CN(C)C(=O)NC(CCN2CCC(F)CC2)C(=O)NC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CCS(=O)(=O)N1CCN(CCC(NC(=O)N(C)Cc2csc(C(C)C)n2)C(=O)NC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)CC1
InChIInChI=1S/C42H54F3N7O4S2.C42H58N8O6S3.C41H53F2N7O4S2.C41H54FN7O4S2.4CH4/c1-29(2)39-48-35(27-57-39)25-51(3)40(54)50-37(18-21-52-19-16-32(17-20-52)42(43,44)45)38(53)47-33(22-30-10-6-4-7-11-30)14-15-34(23-31-12-8-5-9-13-31)49-41(55)56-26-36-24-46-28-58-36;1-5-59(54,55)50-22-20-49(21-23-50)19-18-38(47-41(52)48(4)27-36-29-57-40(45-36)31(2)3)39(51)44-34(24-32-12-8-6-9-13-32)16-17-35(25-33-14-10-7-11-15-33)46-42(53)56-28-37-26-43-30-58-37;1-29(2)38-46-34(27-55-38)25-49(3)39(52)48-36(16-19-50-20-17-41(42,43)18-21-50)37(51)45-32(22-30-10-6-4-7-11-30)14-15-33(23-31-12-8-5-9-13-31)47-40(53)54-26-35-24-44-28-56-35;1-29(2)39-45-35(27-54-39)25-48(3)40(51)47-37(18-21-49-19-16-32(42)17-20-49)38(50)44-33(22-30-10-6-4-7-11-30)14-15-34(23-31-12-8-5-9-13-31)46-41(52)53-26-36-24-43-28-55-36;;;;/h4-13,24,27-29,32-34,37H,14-23,25-26H2,1-3H3,(H,47,53)(H,49,55)(H,50,54);6-15,26,29-31,34-35,38H,5,16-25,27-28H2,1-4H3,(H,44,51)(H,46,53)(H,47,52);4-13,24,27-29,32-33,36H,14-23,25-26H2,1-3H3,(H,45,51)(H,47,53)(H,48,52);4-13,24,27-29,32-34,37H,14-23,25-26H2,1-3H3,(H,44,50)(H,46,52)(H,47,51);4*1H4
InChIKeyOHJPSZTVVWCWCF-UHFFFAOYSA-N
MW3375.53 g/mol
LogP30.62
Rot. Bonds78

About methane;1,3-thiazol-5-ylmethyl N-[5-[[4-(4,4-difluoropiperidin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(4-ethylsulfonylpiperazin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(4-fluoropiperidin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-[4-(trifluoromethyl)piperidin-1-yl]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate

methane;1,3-thiazol-5-ylmethyl N-[5-[[4-(4,4-difluoropiperidin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(4-ethylsulfonylpiperazin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(4-fluoropiperidin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-[4-(trifluoromethyl)piperidin-1-yl]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate (PubChem CID 159994633) has the molecular formula C170H235F6N29O18S9 and a molecular weight of 3375.53 g/mol. Its IUPAC name is methane;1,3-thiazol-5-ylmethyl N-[5-[[4-(4,4-difluoropiperidin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(4-ethylsulfonylpiperazin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(4-fluoropiperidin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-[4-(trifluoromethyl)piperidin-1-yl]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate.

Molecular Properties

Compound Namemethane;1,3-thiazol-5-ylmethyl N-[5-[[4-(4,4-difluoropiperidin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(4-ethylsulfonylpiperazin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(4-fluoropiperidin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-[4-(trifluoromethyl)piperidin-1-yl]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
PubChem CID159994633
Molecular FormulaC170H235F6N29O18S9
Molecular Weight3375.53 g/mol
Exact Mass3372.58
IUPAC Namemethane;1,3-thiazol-5-ylmethyl N-[5-[[4-(4,4-difluoropiperidin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(4-ethylsulfonylpiperazin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(4-fluoropiperidin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-[4-(trifluoromethyl)piperidin-1-yl]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
SMILESC.C.C.C.CC(C)c1nc(CN(C)C(=O)NC(CCN2CCC(C(F)(F)F)CC2)C(=O)NC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CC(C)c1nc(CN(C)C(=O)NC(CCN2CCC(F)(F)CC2)C(=O)NC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CC(C)c1nc(CN(C)C(=O)NC(CCN2CCC(F)CC2)C(=O)NC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CCS(=O)(=O)N1CCN(CCC(NC(=O)N(C)Cc2csc(C(C)C)n2)C(=O)NC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)CC1
InChIInChI=1S/C42H54F3N7O4S2.C42H58N8O6S3.C41H53F2N7O4S2.C41H54FN7O4S2.4CH4/c1-29(2)39-48-35(27-57-39)25-51(3)40(54)50-37(18-21-52-19-16-32(17-20-52)42(43,44)45)38(53)47-33(22-30-10-6-4-7-11-30)14-15-34(23-31-12-8-5-9-13-31)49-41(55)56-26-36-24-46-28-58-36;1-5-59(54,55)50-22-20-49(21-23-50)19-18-38(47-41(52)48(4)27-36-29-57-40(45-36)31(2)3)39(51)44-34(24-32-12-8-6-9-13-32)16-17-35(25-33-14-10-7-11-15-33)46-42(53)56-28-37-26-43-30-58-37;1-29(2)38-46-34(27-55-38)25-49(3)39(52)48-36(16-19-50-20-17-41(42,43)18-21-50)37(51)45-32(22-30-10-6-4-7-11-30)14-15-33(23-31-12-8-5-9-13-31)47-40(53)54-26-35-24-44-28-56-35;1-29(2)39-45-35(27-54-39)25-48(3)40(51)47-37(18-21-49-19-16-32(42)17-20-49)38(50)44-33(22-30-10-6-4-7-11-30)14-15-34(23-31-12-8-5-9-13-31)46-41(52)53-26-36-24-43-28-55-36;;;;/h4-13,24,27-29,32-34,37H,14-23,25-26H2,1-3H3,(H,47,53)(H,49,55)(H,50,54);6-15,26,29-31,34-35,38H,5,16-25,27-28H2,1-4H3,(H,44,51)(H,46,53)(H,47,52);4-13,24,27-29,32-33,36H,14-23,25-26H2,1-3H3,(H,45,51)(H,47,53)(H,48,52);4-13,24,27-29,32-34,37H,14-23,25-26H2,1-3H3,(H,44,50)(H,46,52)(H,47,51);4*1H4
InChIKeyOHJPSZTVVWCWCF-UHFFFAOYSA-N
XLogP30.62
TPSA552.54 Ų
H-Bond Donors12
H-Bond Acceptors38
Rotatable Bonds78
Heavy Atoms232
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003375.53
LogP ≤ 530.62
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze methane;1,3-thiazol-5-ylmethyl N-[5-[[4-(4,4-difluoropiperidin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(4-ethylsulfonylpiperazin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(4-fluoropiperidin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-[4-(trifluoromethyl)piperidin-1-yl]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of methane;1,3-thiazol-5-ylmethyl N-[5-[[4-(4,4-difluoropiperidin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(4-ethylsulfonylpiperazin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(4-fluoropiperidin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-[4-(trifluoromethyl)piperidin-1-yl]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate?
The IUPAC name of methane;1,3-thiazol-5-ylmethyl N-[5-[[4-(4,4-difluoropiperidin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(4-ethylsulfonylpiperazin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(4-fluoropiperidin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-[4-(trifluoromethyl)piperidin-1-yl]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate (CID 159994633) is methane;1,3-thiazol-5-ylmethyl N-[5-[[4-(4,4-difluoropiperidin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(4-ethylsulfonylpiperazin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(4-fluoropiperidin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-[4-(trifluoromethyl)piperidin-1-yl]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate.
What is the SMILES notation for methane;1,3-thiazol-5-ylmethyl N-[5-[[4-(4,4-difluoropiperidin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(4-ethylsulfonylpiperazin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(4-fluoropiperidin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-[4-(trifluoromethyl)piperidin-1-yl]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate?
The canonical SMILES for methane;1,3-thiazol-5-ylmethyl N-[5-[[4-(4,4-difluoropiperidin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(4-ethylsulfonylpiperazin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(4-fluoropiperidin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-[4-(trifluoromethyl)piperidin-1-yl]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate is C.C.C.C.CC(C)c1nc(CN(C)C(=O)NC(CCN2CCC(C(F)(F)F)CC2)C(=O)NC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CC(C)c1nc(CN(C)C(=O)NC(CCN2CCC(F)(F)CC2)C(=O)NC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CC(C)c1nc(CN(C)C(=O)NC(CCN2CCC(F)CC2)C(=O)NC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CCS(=O)(=O)N1CCN(CCC(NC(=O)N(C)Cc2csc(C(C)C)n2)C(=O)NC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)CC1.
What is the InChIKey of methane;1,3-thiazol-5-ylmethyl N-[5-[[4-(4,4-difluoropiperidin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(4-ethylsulfonylpiperazin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(4-fluoropiperidin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-[4-(trifluoromethyl)piperidin-1-yl]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate?
The InChIKey is OHJPSZTVVWCWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H54F3N7O4S2.C42H58N8O6S3.C41H53F2N7O4S2.C41H54FN7O4S2.4CH4/c1-29(2)39-48-35(27-57-39)25-51(3)40(54)50-37(18-21-52-19-16-32(17-20-52)42(43,44)45)38(53)47-33(22-30-10-6-4-7-11-30)14-15-34(23-31-12-8-5-9-13-31)49-41(55)56-26-36-24-46-28-58-36;1-5-59(54,55)50-22-20-49(21-23-50)19-18-38(47-41(52)48(4)27-36-29-57-40(45-36)31(2)3)39(51)44-34(24-32-12-8-6-9-13-32)16-17-35(25-33-14-10-7-11-15-33)46-42(53)56-28-37-26-43-30-58-37;1-29(2)38-46-34(27-55-38)25-49(3)39(52)48-36(16-19-50-20-17-41(42,43)18-21-50)37(51)45-32(22-30-10-6-4-7-11-30)14-15-33(23-31-12-8-5-9-13-31)47-40(53)54-26-35-24-44-28-56-35;1-29(2)39-45-35(27-54-39)25-48(3)40(51)47-37(18-21-49-19-16-32(42)17-20-49)38(50)44-33(22-30-10-6-4-7-11-30)14-15-34(23-31-12-8-5-9-13-31)46-41(52)53-26-36-24-43-28-55-36;;;;/h4-13,24,27-29,32-34,37H,14-23,25-26H2,1-3H3,(H,47,53)(H,49,55)(H,50,54);6-15,26,29-31,34-35,38H,5,16-25,27-28H2,1-4H3,(H,44,51)(H,46,53)(H,47,52);4-13,24,27-29,32-33,36H,14-23,25-26H2,1-3H3,(H,45,51)(H,47,53)(H,48,52);4-13,24,27-29,32-34,37H,14-23,25-26H2,1-3H3,(H,44,50)(H,46,52)(H,47,51);4*1H4.
What are the key properties of methane;1,3-thiazol-5-ylmethyl N-[5-[[4-(4,4-difluoropiperidin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(4-ethylsulfonylpiperazin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(4-fluoropiperidin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-[4-(trifluoromethyl)piperidin-1-yl]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate?
methane;1,3-thiazol-5-ylmethyl N-[5-[[4-(4,4-difluoropiperidin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(4-ethylsulfonylpiperazin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(4-fluoropiperidin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-[4-(trifluoromethyl)piperidin-1-yl]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate has a molecular weight of 3375.53 g/mol, XLogP of 30.62, 78 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1,3-thiazol-5-ylmethyl N-[5-[[4-(4,4-difluoropiperidin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(4-ethylsulfonylpiperazin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(4-fluoropiperidin-1-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-[4-(trifluoromethyl)piperidin-1-yl]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate is sourced from PubChem (CID 159994633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).