1,3-thiazol-5-ylmethyl N-[10-amino-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-(methylamino)-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-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-1-phenyldecan-2-yl]carbamate;thiophen-2-ylmethyl N-benzyl-N-[3-[benzyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]propyl]carbamate

C150H196N22O15S8 — CID 157253255

About 1,3-thiazol-5-ylmethyl N-[10-amino-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-(methylamino)-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-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-1-phenyldecan-2-yl]carbamate;thiophen-2-ylmethyl N-benzyl-N-[3-[benzyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]propyl]carbamate

1,3-thiazol-5-ylmethyl N-[10-amino-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-(methylamino)-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-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-1-phenyldecan-2-yl]carbamate;thiophen-2-ylmethyl N-benzyl-N-[3-[benzyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]propyl]carbamate (PubChem CID 157253255) has the molecular formula C150H196N22O15S8 and a molecular weight of 2803.89 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethyl N-[10-amino-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-(methylamino)-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-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-1-phenyldecan-2-yl]carbamate;thiophen-2-ylmethyl N-benzyl-N-[3-[benzyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]propyl]carbamate.

Molecular Properties

• Compound Name: 1,3-thiazol-5-ylmethyl N-[10-amino-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-(methylamino)-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-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-1-phenyldecan-2-yl]carbamate;thiophen-2-ylmethyl N-benzyl-N-[3-[benzyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]propyl]carbamate
• PubChem CID: 157253255
• Molecular Formula: C150H196N22O15S8
• Molecular Weight: 2803.89 g/mol
• Exact Mass: 2801.30
• IUPAC Name: 1,3-thiazol-5-ylmethyl N-[10-amino-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-(methylamino)-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-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-1-phenyldecan-2-yl]carbamate;thiophen-2-ylmethyl N-benzyl-N-[3-[benzyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]propyl]carbamate
• SMILES: CC(C)c1nc(CN(C)C(=O)NC(C(=O)N(CCCN(Cc2ccccc2)C(=O)OCc2cccs2)Cc2ccccc2)C(C)C)cs1.CC(C)c1nc(CN(C)C(=O)NC(CCC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)C(C)C)cs1.CC(C)c1nc(CN(C)C(=O)NC(CCN)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CNCCC(NC(=O)N(C)Cc1csc(C(C)C)n1)C(=O)CC(CCC(Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1
• InChI: InChI=1S/C38H50N6O4S2.C38H51N5O3S2.C37H48N6O4S2.C37H47N5O4S2/c1-27(2)36-41-32(25-49-36)23-44(4)37(46)43-34(17-18-39-3)35(45)21-30(19-28-11-7-5-8-12-28)15-16-31(20-29-13-9-6-10-14-29)42-38(47)48-24-33-22-40-26-50-33;1-27(2)35(42-37(44)43(5)23-33-25-47-36(40-33)28(3)4)19-17-31(20-29-12-8-6-9-13-29)16-18-32(21-30-14-10-7-11-15-30)41-38(45)46-24-34-22-39-26-48-34;1-26(2)35-40-31(24-48-35)22-43(3)36(45)42-33(16-17-38)34(44)20-29(18-27-10-6-4-7-11-27)14-15-30(19-28-12-8-5-9-13-28)41-37(46)47-23-32-21-39-25-49-32;1-27(2)33(39-36(44)40(5)24-31-26-48-34(38-31)28(3)4)35(43)41(22-29-14-8-6-9-15-29)19-13-20-42(23-30-16-10-7-11-17-30)37(45)46-25-32-18-12-21-47-32/h5-14,22,25-27,30-31,34,39H,15-21,23-24H2,1-4H3,(H,42,47)(H,43,46);6-15,22,25-28,31-32,35H,16-21,23-24H2,1-5H3,(H,41,45)(H,42,44);4-13,21,24-26,29-30,33H,14-20,22-23,38H2,1-3H3,(H,41,46)(H,42,45);6-12,14-18,21,26-28,33H,13,19-20,22-25H2,1-5H3,(H,39,44)
• InChIKey: AWOSWOSGMVWWIH-UHFFFAOYSA-N
• XLogP: 30.29
• TPSA: 456.62 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 32
• Rotatable Bonds: 73
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2803.89
LogP ≤ 5	30.29
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	32

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-[10-amino-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-(methylamino)-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-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-1-phenyldecan-2-yl]carbamate;thiophen-2-ylmethyl N-benzyl-N-[3-[benzyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]propyl]carbamate?

The IUPAC name of 1,3-thiazol-5-ylmethyl N-[10-amino-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-(methylamino)-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-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-1-phenyldecan-2-yl]carbamate;thiophen-2-ylmethyl N-benzyl-N-[3-[benzyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]propyl]carbamate (CID 157253255) is 1,3-thiazol-5-ylmethyl N-[10-amino-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-(methylamino)-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-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-1-phenyldecan-2-yl]carbamate;thiophen-2-ylmethyl N-benzyl-N-[3-[benzyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]propyl]carbamate.

What is the SMILES notation for 1,3-thiazol-5-ylmethyl N-[10-amino-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-(methylamino)-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-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-1-phenyldecan-2-yl]carbamate;thiophen-2-ylmethyl N-benzyl-N-[3-[benzyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]propyl]carbamate?

The canonical SMILES for 1,3-thiazol-5-ylmethyl N-[10-amino-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-(methylamino)-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-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-1-phenyldecan-2-yl]carbamate;thiophen-2-ylmethyl N-benzyl-N-[3-[benzyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]propyl]carbamate is CC(C)c1nc(CN(C)C(=O)NC(C(=O)N(CCCN(Cc2ccccc2)C(=O)OCc2cccs2)Cc2ccccc2)C(C)C)cs1.CC(C)c1nc(CN(C)C(=O)NC(CCC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)C(C)C)cs1.CC(C)c1nc(CN(C)C(=O)NC(CCN)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CNCCC(NC(=O)N(C)Cc1csc(C(C)C)n1)C(=O)CC(CCC(Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1.

What is the InChIKey of 1,3-thiazol-5-ylmethyl N-[10-amino-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-(methylamino)-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-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-1-phenyldecan-2-yl]carbamate;thiophen-2-ylmethyl N-benzyl-N-[3-[benzyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]propyl]carbamate?

The InChIKey is AWOSWOSGMVWWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H50N6O4S2.C38H51N5O3S2.C37H48N6O4S2.C37H47N5O4S2/c1-27(2)36-41-32(25-49-36)23-44(4)37(46)43-34(17-18-39-3)35(45)21-30(19-28-11-7-5-8-12-28)15-16-31(20-29-13-9-6-10-14-29)42-38(47)48-24-33-22-40-26-50-33;1-27(2)35(42-37(44)43(5)23-33-25-47-36(40-33)28(3)4)19-17-31(20-29-12-8-6-9-13-29)16-18-32(21-30-14-10-7-11-15-30)41-38(45)46-24-34-22-39-26-48-34;1-26(2)35-40-31(24-48-35)22-43(3)36(45)42-33(16-17-38)34(44)20-29(18-27-10-6-4-7-11-27)14-15-30(19-28-12-8-5-9-13-28)41-37(46)47-23-32-21-39-25-49-32;1-27(2)33(39-36(44)40(5)24-31-26-48-34(38-31)28(3)4)35(43)41(22-29-14-8-6-9-15-29)19-13-20-42(23-30-16-10-7-11-17-30)37(45)46-25-32-18-12-21-47-32/h5-14,22,25-27,30-31,34,39H,15-21,23-24H2,1-4H3,(H,42,47)(H,43,46);6-15,22,25-28,31-32,35H,16-21,23-24H2,1-5H3,(H,41,45)(H,42,44);4-13,21,24-26,29-30,33H,14-20,22-23,38H2,1-3H3,(H,41,46)(H,42,45);6-12,14-18,21,26-28,33H,13,19-20,22-25H2,1-5H3,(H,39,44).

What are the key properties of 1,3-thiazol-5-ylmethyl N-[10-amino-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-(methylamino)-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-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-1-phenyldecan-2-yl]carbamate;thiophen-2-ylmethyl N-benzyl-N-[3-[benzyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]propyl]carbamate?

1,3-thiazol-5-ylmethyl N-[10-amino-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-(methylamino)-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-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-1-phenyldecan-2-yl]carbamate;thiophen-2-ylmethyl N-benzyl-N-[3-[benzyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]propyl]carbamate has a molecular weight of 2803.89 g/mol, XLogP of 30.29, 73 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-thiazol-5-ylmethyl N-[10-amino-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-(methylamino)-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-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-1-phenyldecan-2-yl]carbamate;thiophen-2-ylmethyl N-benzyl-N-[3-[benzyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]propyl]carbamate is sourced from PubChem (CID 157253255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).