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]-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-benzyl-N-[4-[benzyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]butyl]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;1,3-thiazol-5-ylmethyl N-[8-methyl-7-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-6-oxononyl]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]-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-benzyl-N-[4-[benzyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]butyl]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;1,3-thiazol-5-ylmethyl N-[8-methyl-7-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-6-oxononyl]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 159560759) has the molecular formula C173H233N27O18S10
and a molecular weight of 3299.61 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]-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-benzyl-N-[4-[benzyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]butyl]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;1,3-thiazol-5-ylmethyl N-[8-methyl-7-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-6-oxononyl]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.
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]-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-benzyl-N-[4-[benzyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]butyl]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;1,3-thiazol-5-ylmethyl N-[8-methyl-7-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-6-oxononyl]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]-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-benzyl-N-[4-[benzyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]butyl]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;1,3-thiazol-5-ylmethyl N-[8-methyl-7-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-6-oxononyl]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 159560759) 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]-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-benzyl-N-[4-[benzyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]butyl]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;1,3-thiazol-5-ylmethyl N-[8-methyl-7-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-6-oxononyl]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]-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-benzyl-N-[4-[benzyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]butyl]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;1,3-thiazol-5-ylmethyl N-[8-methyl-7-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-6-oxononyl]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]-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-benzyl-N-[4-[benzyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]butyl]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;1,3-thiazol-5-ylmethyl N-[8-methyl-7-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-6-oxononyl]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)CCCCCNC(=O)OCc2cncs2)C(C)C)cs1.CC(C)c1nc(CN(C)C(=O)NC(C(=O)N(CCCCN(Cc2ccccc2)C(=O)OCc2cncs2)Cc2ccccc2)C(C)C)cs1.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)CCC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.
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]-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-benzyl-N-[4-[benzyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]butyl]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;1,3-thiazol-5-ylmethyl N-[8-methyl-7-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-6-oxononyl]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 MGOXGPVCPHVIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H51N5O3S2.C37H48N6O4S2.C37H50N6O3S2.C37H47N5O4S2.C24H37N5O4S2/c1-27(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;1-27(2)33(40-36(45)41(5)23-31-25-48-34(39-31)28(3)4)35(44)42(21-29-14-8-6-9-15-29)18-12-13-19-43(22-30-16-10-7-11-17-30)37(46)47-24-32-20-38-26-49-32;1-27(2)35-40-33(25-47-35)23-43(3)36(44)41-31(18-19-38)16-14-30(20-28-10-6-4-7-11-28)15-17-32(21-29-12-8-5-9-13-29)42-37(45)46-24-34-22-39-26-48-34;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;1-16(2)21(28-23(31)29(5)12-18-14-34-22(27-18)17(3)4)20(30)9-7-6-8-10-26-24(32)33-13-19-11-25-15-35-19/h6-15,22,25-28,31-32,35H,16-21,23-24H2,1-5H3,(H,41,45)(H,42,44);6-11,14-17,20,25-28,33H,12-13,18-19,21-24H2,1-5H3,(H,40,45);4-13,22,25-27,30-32H,14-21,23-24,38H2,1-3H3,(H,41,44)(H,42,45);6-12,14-18,21,26-28,33H,13,19-20,22-25H2,1-5H3,(H,39,44);11,14-17,21H,6-10,12-13H2,1-5H3,(H,26,32)(H,28,31).
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]-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-benzyl-N-[4-[benzyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]butyl]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;1,3-thiazol-5-ylmethyl N-[8-methyl-7-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-6-oxononyl]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]-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-benzyl-N-[4-[benzyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]butyl]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;1,3-thiazol-5-ylmethyl N-[8-methyl-7-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-6-oxononyl]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 3299.61 g/mol, XLogP of 36.62, 84 rotatable bonds, 9 hydrogen bond donors, and 38 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]-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-benzyl-N-[4-[benzyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]butyl]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;1,3-thiazol-5-ylmethyl N-[8-methyl-7-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-6-oxononyl]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 159560759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).