About (2-propan-2-yl-1,3-thiazol-4-yl)methyl N-[4-benzyl-1-(2-morpholin-4-ylethyl)-2-oxo-8-phenyl-7-(1,3-thiazol-5-ylmethoxycarbonylamino)octyl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl-methylcarbamoyl]amino]-10-morpholin-4-yl-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]-10-morpholin-4-yl-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-morpholin-4-yl-7-oxo-1-phenyl-8-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]decan-2-yl]carbamate;thiophen-2-ylmethyl N-[5-benzyl-7-[[2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]-(2-morpholin-4-ylethyl)amino]-7-oxo-1-phenylheptan-2-yl]carbamate
(2-propan-2-yl-1,3-thiazol-4-yl)methyl N-[4-benzyl-1-(2-morpholin-4-ylethyl)-2-oxo-8-phenyl-7-(1,3-thiazol-5-ylmethoxycarbonylamino)octyl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl-methylcarbamoyl]amino]-10-morpholin-4-yl-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]-10-morpholin-4-yl-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-morpholin-4-yl-7-oxo-1-phenyl-8-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]decan-2-yl]carbamate;thiophen-2-ylmethyl N-[5-benzyl-7-[[2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]-(2-morpholin-4-ylethyl)amino]-7-oxo-1-phenylheptan-2-yl]carbamate (PubChem CID 161489334) has the molecular formula C204H266N28O27S10
and a molecular weight of 3863.21 g/mol. Its IUPAC name is (2-propan-2-yl-1,3-thiazol-4-yl)methyl N-[4-benzyl-1-(2-morpholin-4-ylethyl)-2-oxo-8-phenyl-7-(1,3-thiazol-5-ylmethoxycarbonylamino)octyl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl-methylcarbamoyl]amino]-10-morpholin-4-yl-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]-10-morpholin-4-yl-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-morpholin-4-yl-7-oxo-1-phenyl-8-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]decan-2-yl]carbamate;thiophen-2-ylmethyl N-[5-benzyl-7-[[2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]-(2-morpholin-4-ylethyl)amino]-7-oxo-1-phenylheptan-2-yl]carbamate.
Frequently Asked Questions
What is the IUPAC name of (2-propan-2-yl-1,3-thiazol-4-yl)methyl N-[4-benzyl-1-(2-morpholin-4-ylethyl)-2-oxo-8-phenyl-7-(1,3-thiazol-5-ylmethoxycarbonylamino)octyl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl-methylcarbamoyl]amino]-10-morpholin-4-yl-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]-10-morpholin-4-yl-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-morpholin-4-yl-7-oxo-1-phenyl-8-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]decan-2-yl]carbamate;thiophen-2-ylmethyl N-[5-benzyl-7-[[2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]-(2-morpholin-4-ylethyl)amino]-7-oxo-1-phenylheptan-2-yl]carbamate?
The IUPAC name of (2-propan-2-yl-1,3-thiazol-4-yl)methyl N-[4-benzyl-1-(2-morpholin-4-ylethyl)-2-oxo-8-phenyl-7-(1,3-thiazol-5-ylmethoxycarbonylamino)octyl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl-methylcarbamoyl]amino]-10-morpholin-4-yl-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]-10-morpholin-4-yl-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-morpholin-4-yl-7-oxo-1-phenyl-8-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]decan-2-yl]carbamate;thiophen-2-ylmethyl N-[5-benzyl-7-[[2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]-(2-morpholin-4-ylethyl)amino]-7-oxo-1-phenylheptan-2-yl]carbamate (CID 161489334) is (2-propan-2-yl-1,3-thiazol-4-yl)methyl N-[4-benzyl-1-(2-morpholin-4-ylethyl)-2-oxo-8-phenyl-7-(1,3-thiazol-5-ylmethoxycarbonylamino)octyl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl-methylcarbamoyl]amino]-10-morpholin-4-yl-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]-10-morpholin-4-yl-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-morpholin-4-yl-7-oxo-1-phenyl-8-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]decan-2-yl]carbamate;thiophen-2-ylmethyl N-[5-benzyl-7-[[2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]-(2-morpholin-4-ylethyl)amino]-7-oxo-1-phenylheptan-2-yl]carbamate.
What is the SMILES notation for (2-propan-2-yl-1,3-thiazol-4-yl)methyl N-[4-benzyl-1-(2-morpholin-4-ylethyl)-2-oxo-8-phenyl-7-(1,3-thiazol-5-ylmethoxycarbonylamino)octyl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl-methylcarbamoyl]amino]-10-morpholin-4-yl-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]-10-morpholin-4-yl-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-morpholin-4-yl-7-oxo-1-phenyl-8-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]decan-2-yl]carbamate;thiophen-2-ylmethyl N-[5-benzyl-7-[[2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]-(2-morpholin-4-ylethyl)amino]-7-oxo-1-phenylheptan-2-yl]carbamate?
The canonical SMILES for (2-propan-2-yl-1,3-thiazol-4-yl)methyl N-[4-benzyl-1-(2-morpholin-4-ylethyl)-2-oxo-8-phenyl-7-(1,3-thiazol-5-ylmethoxycarbonylamino)octyl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl-methylcarbamoyl]amino]-10-morpholin-4-yl-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]-10-morpholin-4-yl-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-morpholin-4-yl-7-oxo-1-phenyl-8-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]decan-2-yl]carbamate;thiophen-2-ylmethyl N-[5-benzyl-7-[[2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]-(2-morpholin-4-ylethyl)amino]-7-oxo-1-phenylheptan-2-yl]carbamate is CC(C)c1nc(CN(C)C(=O)CN(CCN2CCOCC2)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cccs2)Cc2ccccc2)cs1.CC(C)c1nc(CN(C)C(=O)NC(CCN2CCOCC2)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CC(C)c1nc(CNC(=O)NC(CCN2CCOCC2)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CC(C)c1nc(COC(=O)NC(CCN2CCOCC2)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CN(Cc1csc(C(C)(C)O)n1)C(=O)NC(CCN1CCOCC1)C(=O)CC(CCC(Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1.
What is the InChIKey of (2-propan-2-yl-1,3-thiazol-4-yl)methyl N-[4-benzyl-1-(2-morpholin-4-ylethyl)-2-oxo-8-phenyl-7-(1,3-thiazol-5-ylmethoxycarbonylamino)octyl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl-methylcarbamoyl]amino]-10-morpholin-4-yl-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]-10-morpholin-4-yl-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-morpholin-4-yl-7-oxo-1-phenyl-8-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]decan-2-yl]carbamate;thiophen-2-ylmethyl N-[5-benzyl-7-[[2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]-(2-morpholin-4-ylethyl)amino]-7-oxo-1-phenylheptan-2-yl]carbamate?
The InChIKey is WFJYXYIAYFRZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H55N5O5S2.C41H54N6O6S2.C41H54N6O5S2.C40H52N6O5S2.C40H51N5O6S2/c1-32(2)41-43-37(31-54-41)28-45(3)40(49)29-47(19-18-46-20-22-51-23-21-46)39(48)27-35(25-33-11-6-4-7-12-33)16-17-36(26-34-13-8-5-9-14-34)44-42(50)52-30-38-15-10-24-53-38;1-41(2,51)38-43-34(28-54-38)26-46(3)39(49)45-36(16-17-47-18-20-52-21-19-47)37(48)24-32(22-30-10-6-4-7-11-30)14-15-33(23-31-12-8-5-9-13-31)44-40(50)53-27-35-25-42-29-55-35;1-30(2)39-43-35(28-53-39)26-46(3)40(49)45-37(16-17-47-18-20-51-21-19-47)38(48)24-33(22-31-10-6-4-7-11-31)14-15-34(23-32-12-8-5-9-13-32)44-41(50)52-27-36-25-42-29-54-36;1-29(2)38-43-34(27-52-38)24-42-39(48)45-36(15-16-46-17-19-50-20-18-46)37(47)23-32(21-30-9-5-3-6-10-30)13-14-33(22-31-11-7-4-8-12-31)44-40(49)51-26-35-25-41-28-53-35;1-29(2)38-42-34(27-52-38)25-50-40(48)44-36(15-16-45-17-19-49-20-18-45)37(46)23-32(21-30-9-5-3-6-10-30)13-14-33(22-31-11-7-4-8-12-31)43-39(47)51-26-35-24-41-28-53-35/h4-15,24,31-32,35-36H,16-23,25-30H2,1-3H3,(H,44,50);4-13,25,28-29,32-33,36,51H,14-24,26-27H2,1-3H3,(H,44,50)(H,45,49);4-13,25,28-30,33-34,37H,14-24,26-27H2,1-3H3,(H,44,50)(H,45,49);3-12,25,27-29,32-33,36H,13-24,26H2,1-2H3,(H,44,49)(H2,42,45,48);3-12,24,27-29,32-33,36H,13-23,25-26H2,1-2H3,(H,43,47)(H,44,48).
What are the key properties of (2-propan-2-yl-1,3-thiazol-4-yl)methyl N-[4-benzyl-1-(2-morpholin-4-ylethyl)-2-oxo-8-phenyl-7-(1,3-thiazol-5-ylmethoxycarbonylamino)octyl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl-methylcarbamoyl]amino]-10-morpholin-4-yl-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]-10-morpholin-4-yl-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-morpholin-4-yl-7-oxo-1-phenyl-8-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]decan-2-yl]carbamate;thiophen-2-ylmethyl N-[5-benzyl-7-[[2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]-(2-morpholin-4-ylethyl)amino]-7-oxo-1-phenylheptan-2-yl]carbamate?
(2-propan-2-yl-1,3-thiazol-4-yl)methyl N-[4-benzyl-1-(2-morpholin-4-ylethyl)-2-oxo-8-phenyl-7-(1,3-thiazol-5-ylmethoxycarbonylamino)octyl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl-methylcarbamoyl]amino]-10-morpholin-4-yl-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]-10-morpholin-4-yl-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-morpholin-4-yl-7-oxo-1-phenyl-8-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]decan-2-yl]carbamate;thiophen-2-ylmethyl N-[5-benzyl-7-[[2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]-(2-morpholin-4-ylethyl)amino]-7-oxo-1-phenylheptan-2-yl]carbamate has a molecular weight of 3863.21 g/mol, XLogP of 34.23, 100 rotatable bonds, 11 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-yl-1,3-thiazol-4-yl)methyl N-[4-benzyl-1-(2-morpholin-4-ylethyl)-2-oxo-8-phenyl-7-(1,3-thiazol-5-ylmethoxycarbonylamino)octyl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl-methylcarbamoyl]amino]-10-morpholin-4-yl-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]-10-morpholin-4-yl-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-10-morpholin-4-yl-7-oxo-1-phenyl-8-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]decan-2-yl]carbamate;thiophen-2-ylmethyl N-[5-benzyl-7-[[2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]-(2-morpholin-4-ylethyl)amino]-7-oxo-1-phenylheptan-2-yl]carbamate is sourced from PubChem (CID 161489334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).