1,3-thiazol-5-ylmethyl N-[10-(4-acetylpiperazin-1-yl)-5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(4,4-difluoropiperidin-1-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(4-ethylsulfonylpiperazin-1-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyl-10-[4-(trifluoromethyl)piperazin-1-yl]decan-2-yl]carbamate

C170H224F5N27O19S9 — CID 160598553

IUPAC1,3-thiazol-5-ylmethyl N-[10-(4-acetylpiperazin-1-yl)-5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(4,4-difluoropiperidin-1-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(4-ethylsulfonylpiperazin-1-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyl-10-[4-(trifluoromethyl)piperazin-1-yl]decan-2-yl]carbamate
SMILESCC(=O)N1CCN(CCC(NC(=O)N(C)Cc2csc(C(C)C)n2)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)CC1.CC(C)c1nc(CN(C)C(=O)NC(CCN2CCC(F)(F)CC2)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CC(C)c1nc(CN(C)C(=O)NC(CCN2CCN(C(F)(F)F)CC2)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CCS(=O)(=O)N1CCN(CCC(NC(=O)N(C)Cc2csc(C(C)C)n2)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)CC1
InChIInChI=1S/C43H59N7O6S3.C43H57N7O5S2.C42H54F3N7O4S2.C42H54F2N6O4S2/c1-5-59(54,55)50-22-20-49(21-23-50)19-18-39(47-42(52)48(4)28-37-30-57-41(45-37)32(2)3)40(51)26-35(24-33-12-8-6-9-13-33)16-17-36(25-34-14-10-7-11-15-34)46-43(53)56-29-38-27-44-31-58-38;1-31(2)41-45-37(29-56-41)27-48(4)42(53)47-39(17-18-49-19-21-50(22-20-49)32(3)51)40(52)25-35(23-33-11-7-5-8-12-33)15-16-36(24-34-13-9-6-10-14-34)46-43(54)55-28-38-26-44-30-57-38;1-30(2)39-47-35(28-57-39)26-50(3)40(54)49-37(16-17-51-18-20-52(21-19-51)42(43,44)45)38(53)24-33(22-31-10-6-4-7-11-31)14-15-34(23-32-12-8-5-9-13-32)48-41(55)56-27-36-25-46-29-58-36;1-30(2)39-46-35(28-55-39)26-49(3)40(52)48-37(16-19-50-20-17-42(43,44)18-21-50)38(51)24-33(22-31-10-6-4-7-11-31)14-15-34(23-32-12-8-5-9-13-32)47-41(53)54-27-36-25-45-29-56-36/h6-15,27,30-32,35-36,39H,5,16-26,28-29H2,1-4H3,(H,46,53)(H,47,52);5-14,26,29-31,35-36,39H,15-25,27-28H2,1-4H3,(H,46,54)(H,47,53);4-13,25,28-30,33-34,37H,14-24,26-27H2,1-3H3,(H,48,55)(H,49,54);4-13,25,28-30,33-34,37H,14-24,26-27H2,1-3H3,(H,47,53)(H,48,52)
InChIKeyRDYTZATUNWLQIY-UHFFFAOYSA-N
MW3333.42 g/mol
LogP30.04
Rot. Bonds82

About 1,3-thiazol-5-ylmethyl N-[10-(4-acetylpiperazin-1-yl)-5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(4,4-difluoropiperidin-1-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(4-ethylsulfonylpiperazin-1-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyl-10-[4-(trifluoromethyl)piperazin-1-yl]decan-2-yl]carbamate

1,3-thiazol-5-ylmethyl N-[10-(4-acetylpiperazin-1-yl)-5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(4,4-difluoropiperidin-1-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(4-ethylsulfonylpiperazin-1-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyl-10-[4-(trifluoromethyl)piperazin-1-yl]decan-2-yl]carbamate (PubChem CID 160598553) has the molecular formula C170H224F5N27O19S9 and a molecular weight of 3333.42 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethyl N-[10-(4-acetylpiperazin-1-yl)-5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(4,4-difluoropiperidin-1-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(4-ethylsulfonylpiperazin-1-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyl-10-[4-(trifluoromethyl)piperazin-1-yl]decan-2-yl]carbamate.

Molecular Properties

Compound Name1,3-thiazol-5-ylmethyl N-[10-(4-acetylpiperazin-1-yl)-5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(4,4-difluoropiperidin-1-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(4-ethylsulfonylpiperazin-1-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyl-10-[4-(trifluoromethyl)piperazin-1-yl]decan-2-yl]carbamate
PubChem CID160598553
Molecular FormulaC170H224F5N27O19S9
Molecular Weight3333.42 g/mol
Exact Mass3330.48
IUPAC Name1,3-thiazol-5-ylmethyl N-[10-(4-acetylpiperazin-1-yl)-5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(4,4-difluoropiperidin-1-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(4-ethylsulfonylpiperazin-1-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyl-10-[4-(trifluoromethyl)piperazin-1-yl]decan-2-yl]carbamate
SMILESCC(=O)N1CCN(CCC(NC(=O)N(C)Cc2csc(C(C)C)n2)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)CC1.CC(C)c1nc(CN(C)C(=O)NC(CCN2CCC(F)(F)CC2)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CC(C)c1nc(CN(C)C(=O)NC(CCN2CCN(C(F)(F)F)CC2)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CCS(=O)(=O)N1CCN(CCC(NC(=O)N(C)Cc2csc(C(C)C)n2)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)CC1
InChIInChI=1S/C43H59N7O6S3.C43H57N7O5S2.C42H54F3N7O4S2.C42H54F2N6O4S2/c1-5-59(54,55)50-22-20-49(21-23-50)19-18-39(47-42(52)48(4)28-37-30-57-41(45-37)32(2)3)40(51)26-35(24-33-12-8-6-9-13-33)16-17-36(25-34-14-10-7-11-15-34)46-43(53)56-29-38-27-44-31-58-38;1-31(2)41-45-37(29-56-41)27-48(4)42(53)47-39(17-18-49-19-21-50(22-20-49)32(3)51)40(52)25-35(23-33-11-7-5-8-12-33)15-16-36(24-34-13-9-6-10-14-34)46-43(54)55-28-38-26-44-30-57-38;1-30(2)39-47-35(28-57-39)26-50(3)40(54)49-37(16-17-51-18-20-52(21-19-51)42(43,44)45)38(53)24-33(22-31-10-6-4-7-11-31)14-15-34(23-32-12-8-5-9-13-32)48-41(55)56-27-36-25-46-29-58-36;1-30(2)39-46-35(28-55-39)26-49(3)40(52)48-37(16-19-50-20-17-42(43,44)18-21-50)38(51)24-33(22-31-10-6-4-7-11-31)14-15-34(23-32-12-8-5-9-13-32)47-41(53)54-27-36-25-45-29-56-36/h6-15,27,30-32,35-36,39H,5,16-26,28-29H2,1-4H3,(H,46,53)(H,47,52);5-14,26,29-31,35-36,39H,15-25,27-28H2,1-4H3,(H,46,54)(H,47,53);4-13,25,28-30,33-34,37H,14-24,26-27H2,1-3H3,(H,48,55)(H,49,54);4-13,25,28-30,33-34,37H,14-24,26-27H2,1-3H3,(H,47,53)(H,48,52)
InChIKeyRDYTZATUNWLQIY-UHFFFAOYSA-N
XLogP30.04
TPSA527.97 Ų
H-Bond Donors8
H-Bond Acceptors40
Rotatable Bonds82
Heavy Atoms230
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003333.42
LogP ≤ 530.04
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

Analyze 1,3-thiazol-5-ylmethyl N-[10-(4-acetylpiperazin-1-yl)-5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(4,4-difluoropiperidin-1-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(4-ethylsulfonylpiperazin-1-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyl-10-[4-(trifluoromethyl)piperazin-1-yl]decan-2-yl]carbamate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-5-ylmethyl N-[10-(4-acetylpiperazin-1-yl)-5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(4,4-difluoropiperidin-1-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(4-ethylsulfonylpiperazin-1-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyl-10-[4-(trifluoromethyl)piperazin-1-yl]decan-2-yl]carbamate?
The IUPAC name of 1,3-thiazol-5-ylmethyl N-[10-(4-acetylpiperazin-1-yl)-5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(4,4-difluoropiperidin-1-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(4-ethylsulfonylpiperazin-1-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyl-10-[4-(trifluoromethyl)piperazin-1-yl]decan-2-yl]carbamate (CID 160598553) is 1,3-thiazol-5-ylmethyl N-[10-(4-acetylpiperazin-1-yl)-5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(4,4-difluoropiperidin-1-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(4-ethylsulfonylpiperazin-1-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyl-10-[4-(trifluoromethyl)piperazin-1-yl]decan-2-yl]carbamate.
What is the SMILES notation for 1,3-thiazol-5-ylmethyl N-[10-(4-acetylpiperazin-1-yl)-5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(4,4-difluoropiperidin-1-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(4-ethylsulfonylpiperazin-1-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyl-10-[4-(trifluoromethyl)piperazin-1-yl]decan-2-yl]carbamate?
The canonical SMILES for 1,3-thiazol-5-ylmethyl N-[10-(4-acetylpiperazin-1-yl)-5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(4,4-difluoropiperidin-1-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(4-ethylsulfonylpiperazin-1-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyl-10-[4-(trifluoromethyl)piperazin-1-yl]decan-2-yl]carbamate is CC(=O)N1CCN(CCC(NC(=O)N(C)Cc2csc(C(C)C)n2)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)CC1.CC(C)c1nc(CN(C)C(=O)NC(CCN2CCC(F)(F)CC2)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CC(C)c1nc(CN(C)C(=O)NC(CCN2CCN(C(F)(F)F)CC2)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CCS(=O)(=O)N1CCN(CCC(NC(=O)N(C)Cc2csc(C(C)C)n2)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)CC1.
What is the InChIKey of 1,3-thiazol-5-ylmethyl N-[10-(4-acetylpiperazin-1-yl)-5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(4,4-difluoropiperidin-1-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(4-ethylsulfonylpiperazin-1-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyl-10-[4-(trifluoromethyl)piperazin-1-yl]decan-2-yl]carbamate?
The InChIKey is RDYTZATUNWLQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H59N7O6S3.C43H57N7O5S2.C42H54F3N7O4S2.C42H54F2N6O4S2/c1-5-59(54,55)50-22-20-49(21-23-50)19-18-39(47-42(52)48(4)28-37-30-57-41(45-37)32(2)3)40(51)26-35(24-33-12-8-6-9-13-33)16-17-36(25-34-14-10-7-11-15-34)46-43(53)56-29-38-27-44-31-58-38;1-31(2)41-45-37(29-56-41)27-48(4)42(53)47-39(17-18-49-19-21-50(22-20-49)32(3)51)40(52)25-35(23-33-11-7-5-8-12-33)15-16-36(24-34-13-9-6-10-14-34)46-43(54)55-28-38-26-44-30-57-38;1-30(2)39-47-35(28-57-39)26-50(3)40(54)49-37(16-17-51-18-20-52(21-19-51)42(43,44)45)38(53)24-33(22-31-10-6-4-7-11-31)14-15-34(23-32-12-8-5-9-13-32)48-41(55)56-27-36-25-46-29-58-36;1-30(2)39-46-35(28-55-39)26-49(3)40(52)48-37(16-19-50-20-17-42(43,44)18-21-50)38(51)24-33(22-31-10-6-4-7-11-31)14-15-34(23-32-12-8-5-9-13-32)47-41(53)54-27-36-25-45-29-56-36/h6-15,27,30-32,35-36,39H,5,16-26,28-29H2,1-4H3,(H,46,53)(H,47,52);5-14,26,29-31,35-36,39H,15-25,27-28H2,1-4H3,(H,46,54)(H,47,53);4-13,25,28-30,33-34,37H,14-24,26-27H2,1-3H3,(H,48,55)(H,49,54);4-13,25,28-30,33-34,37H,14-24,26-27H2,1-3H3,(H,47,53)(H,48,52).
What are the key properties of 1,3-thiazol-5-ylmethyl N-[10-(4-acetylpiperazin-1-yl)-5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(4,4-difluoropiperidin-1-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(4-ethylsulfonylpiperazin-1-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyl-10-[4-(trifluoromethyl)piperazin-1-yl]decan-2-yl]carbamate?
1,3-thiazol-5-ylmethyl N-[10-(4-acetylpiperazin-1-yl)-5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(4,4-difluoropiperidin-1-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(4-ethylsulfonylpiperazin-1-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyl-10-[4-(trifluoromethyl)piperazin-1-yl]decan-2-yl]carbamate has a molecular weight of 3333.42 g/mol, XLogP of 30.04, 82 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-5-ylmethyl N-[10-(4-acetylpiperazin-1-yl)-5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(4,4-difluoropiperidin-1-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-(4-ethylsulfonylpiperazin-1-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyl-10-[4-(trifluoromethyl)piperazin-1-yl]decan-2-yl]carbamate is sourced from PubChem (CID 160598553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).