1,3-thiazol-5-ylmethyl N-[5-benzyl-10-imidazol-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-9-pyridin-2-ylnonan-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-pyrrol-1-yldecan-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-(1,2,4-triazol-4-yl)decan-2-yl]carbamate

C161H195N27O16S8 — CID 159595679

About 1,3-thiazol-5-ylmethyl N-[5-benzyl-10-imidazol-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-9-pyridin-2-ylnonan-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-pyrrol-1-yldecan-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-(1,2,4-triazol-4-yl)decan-2-yl]carbamate

1,3-thiazol-5-ylmethyl N-[5-benzyl-10-imidazol-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-9-pyridin-2-ylnonan-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-pyrrol-1-yldecan-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-(1,2,4-triazol-4-yl)decan-2-yl]carbamate (PubChem CID 159595679) has the molecular formula C161H195N27O16S8 and a molecular weight of 3021.04 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethyl N-[5-benzyl-10-imidazol-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-9-pyridin-2-ylnonan-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-pyrrol-1-yldecan-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-(1,2,4-triazol-4-yl)decan-2-yl]carbamate.

Molecular Properties

• Compound Name: 1,3-thiazol-5-ylmethyl N-[5-benzyl-10-imidazol-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-9-pyridin-2-ylnonan-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-pyrrol-1-yldecan-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-(1,2,4-triazol-4-yl)decan-2-yl]carbamate
• PubChem CID: 159595679
• Molecular Formula: C161H195N27O16S8
• Molecular Weight: 3021.04 g/mol
• Exact Mass: 3018.30
• IUPAC Name: 1,3-thiazol-5-ylmethyl N-[5-benzyl-10-imidazol-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-9-pyridin-2-ylnonan-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-pyrrol-1-yldecan-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-(1,2,4-triazol-4-yl)decan-2-yl]carbamate
• SMILES: CC(C)c1nc(CN(C)C(=O)NC(CCn2cccc2)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CC(C)c1nc(CN(C)C(=O)NC(CCn2ccnc2)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CC(C)c1nc(CN(C)C(=O)NC(CCn2cnnc2)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CC(C)c1nc(CN(C)C(=O)NC(Cc2ccccn2)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1
• InChI: InChI=1S/C41H50N6O4S2.C41H48N6O4S2.C40H49N7O4S2.C39H48N8O4S2/c1-30(2)39-43-35(28-52-39)26-46(3)40(49)45-37(18-21-47-19-10-11-20-47)38(48)24-33(22-31-12-6-4-7-13-31)16-17-34(23-32-14-8-5-9-15-32)44-41(50)51-27-36-25-42-29-53-36;1-29(2)39-44-35(27-52-39)25-47(3)40(49)46-37(23-33-16-10-11-19-43-33)38(48)22-32(20-30-12-6-4-7-13-30)17-18-34(21-31-14-8-5-9-15-31)45-41(50)51-26-36-24-42-28-53-36;1-29(2)38-43-34(26-52-38)24-46(3)39(49)45-36(16-18-47-19-17-41-27-47)37(48)22-32(20-30-10-6-4-7-11-30)14-15-33(21-31-12-8-5-9-13-31)44-40(50)51-25-35-23-42-28-53-35;1-28(2)37-43-33(24-52-37)22-46(3)38(49)45-35(16-17-47-25-41-42-26-47)36(48)20-31(18-29-10-6-4-7-11-29)14-15-32(19-30-12-8-5-9-13-30)44-39(50)51-23-34-21-40-27-53-34/h4-15,19-20,25,28-30,33-34,37H,16-18,21-24,26-27H2,1-3H3,(H,44,50)(H,45,49);4-16,19,24,27-29,32,34,37H,17-18,20-23,25-26H2,1-3H3,(H,45,50)(H,46,49);4-13,17,19,23,26-29,32-33,36H,14-16,18,20-22,24-25H2,1-3H3,(H,44,50)(H,45,49);4-13,21,24-28,31-32,35H,14-20,22-23H2,1-3H3,(H,44,50)(H,45,49)
• InChIKey: MKUQKBGECAPKGS-UHFFFAOYSA-N
• XLogP: 30.97
• TPSA: 520.43 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 39
• Rotatable Bonds: 79
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3021.04
LogP ≤ 5	30.97
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-5-ylmethyl N-[5-benzyl-10-imidazol-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-9-pyridin-2-ylnonan-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-pyrrol-1-yldecan-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-(1,2,4-triazol-4-yl)decan-2-yl]carbamate?

The IUPAC name of 1,3-thiazol-5-ylmethyl N-[5-benzyl-10-imidazol-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-9-pyridin-2-ylnonan-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-pyrrol-1-yldecan-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-(1,2,4-triazol-4-yl)decan-2-yl]carbamate (CID 159595679) is 1,3-thiazol-5-ylmethyl N-[5-benzyl-10-imidazol-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-9-pyridin-2-ylnonan-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-pyrrol-1-yldecan-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-(1,2,4-triazol-4-yl)decan-2-yl]carbamate.

What is the SMILES notation for 1,3-thiazol-5-ylmethyl N-[5-benzyl-10-imidazol-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-9-pyridin-2-ylnonan-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-pyrrol-1-yldecan-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-(1,2,4-triazol-4-yl)decan-2-yl]carbamate?

The canonical SMILES for 1,3-thiazol-5-ylmethyl N-[5-benzyl-10-imidazol-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-9-pyridin-2-ylnonan-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-pyrrol-1-yldecan-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-(1,2,4-triazol-4-yl)decan-2-yl]carbamate is CC(C)c1nc(CN(C)C(=O)NC(CCn2cccc2)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CC(C)c1nc(CN(C)C(=O)NC(CCn2ccnc2)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CC(C)c1nc(CN(C)C(=O)NC(CCn2cnnc2)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CC(C)c1nc(CN(C)C(=O)NC(Cc2ccccn2)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.

What is the InChIKey of 1,3-thiazol-5-ylmethyl N-[5-benzyl-10-imidazol-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-9-pyridin-2-ylnonan-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-pyrrol-1-yldecan-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-(1,2,4-triazol-4-yl)decan-2-yl]carbamate?

The InChIKey is MKUQKBGECAPKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H50N6O4S2.C41H48N6O4S2.C40H49N7O4S2.C39H48N8O4S2/c1-30(2)39-43-35(28-52-39)26-46(3)40(49)45-37(18-21-47-19-10-11-20-47)38(48)24-33(22-31-12-6-4-7-13-31)16-17-34(23-32-14-8-5-9-15-32)44-41(50)51-27-36-25-42-29-53-36;1-29(2)39-44-35(27-52-39)25-47(3)40(49)46-37(23-33-16-10-11-19-43-33)38(48)22-32(20-30-12-6-4-7-13-30)17-18-34(21-31-14-8-5-9-15-31)45-41(50)51-26-36-24-42-28-53-36;1-29(2)38-43-34(26-52-38)24-46(3)39(49)45-36(16-18-47-19-17-41-27-47)37(48)22-32(20-30-10-6-4-7-11-30)14-15-33(21-31-12-8-5-9-13-31)44-40(50)51-25-35-23-42-28-53-35;1-28(2)37-43-33(24-52-37)22-46(3)38(49)45-35(16-17-47-25-41-42-26-47)36(48)20-31(18-29-10-6-4-7-11-29)14-15-32(19-30-12-8-5-9-13-30)44-39(50)51-23-34-21-40-27-53-34/h4-15,19-20,25,28-30,33-34,37H,16-18,21-24,26-27H2,1-3H3,(H,44,50)(H,45,49);4-16,19,24,27-29,32,34,37H,17-18,20-23,25-26H2,1-3H3,(H,45,50)(H,46,49);4-13,17,19,23,26-29,32-33,36H,14-16,18,20-22,24-25H2,1-3H3,(H,44,50)(H,45,49);4-13,21,24-28,31-32,35H,14-20,22-23H2,1-3H3,(H,44,50)(H,45,49).

What are the key properties of 1,3-thiazol-5-ylmethyl N-[5-benzyl-10-imidazol-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-9-pyridin-2-ylnonan-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-pyrrol-1-yldecan-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-(1,2,4-triazol-4-yl)decan-2-yl]carbamate?

1,3-thiazol-5-ylmethyl N-[5-benzyl-10-imidazol-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-9-pyridin-2-ylnonan-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-pyrrol-1-yldecan-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-(1,2,4-triazol-4-yl)decan-2-yl]carbamate has a molecular weight of 3021.04 g/mol, XLogP of 30.97, 79 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-thiazol-5-ylmethyl N-[5-benzyl-10-imidazol-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-9-pyridin-2-ylnonan-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-pyrrol-1-yldecan-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-(1,2,4-triazol-4-yl)decan-2-yl]carbamate is sourced from PubChem (CID 159595679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).