methane;(2-propan-2-yl-1,3-thiazol-4-yl)methyl N-[4-benzyl-1-(2-morpholin-4-ylethyl)-2-oxo-8-phenyl-7-(thiophen-2-ylmethoxycarbonylamino)octyl]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;thiophen-2-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;thiophen-2-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

C167H220N20O22S8 — CID 160920530

About methane;(2-propan-2-yl-1,3-thiazol-4-yl)methyl N-[4-benzyl-1-(2-morpholin-4-ylethyl)-2-oxo-8-phenyl-7-(thiophen-2-ylmethoxycarbonylamino)octyl]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;thiophen-2-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;thiophen-2-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

methane;(2-propan-2-yl-1,3-thiazol-4-yl)methyl N-[4-benzyl-1-(2-morpholin-4-ylethyl)-2-oxo-8-phenyl-7-(thiophen-2-ylmethoxycarbonylamino)octyl]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;thiophen-2-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;thiophen-2-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 (PubChem CID 160920530) has the molecular formula C167H220N20O22S8 and a molecular weight of 3116.25 g/mol. Its IUPAC name is methane;(2-propan-2-yl-1,3-thiazol-4-yl)methyl N-[4-benzyl-1-(2-morpholin-4-ylethyl)-2-oxo-8-phenyl-7-(thiophen-2-ylmethoxycarbonylamino)octyl]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;thiophen-2-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;thiophen-2-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.

Molecular Properties

• Compound Name: methane;(2-propan-2-yl-1,3-thiazol-4-yl)methyl N-[4-benzyl-1-(2-morpholin-4-ylethyl)-2-oxo-8-phenyl-7-(thiophen-2-ylmethoxycarbonylamino)octyl]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;thiophen-2-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;thiophen-2-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
• PubChem CID: 160920530
• Molecular Formula: C167H220N20O22S8
• Molecular Weight: 3116.25 g/mol
• Exact Mass: 3113.45
• IUPAC Name: methane;(2-propan-2-yl-1,3-thiazol-4-yl)methyl N-[4-benzyl-1-(2-morpholin-4-ylethyl)-2-oxo-8-phenyl-7-(thiophen-2-ylmethoxycarbonylamino)octyl]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;thiophen-2-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;thiophen-2-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
• SMILES: C.CC(C)c1nc(CN(C)C(=O)NC(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(COC(=O)NC(CCN2CCOCC2)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cccs2)Cc2ccccc2)cs1.CN(Cc1csc(C(C)(C)O)n1)C(=O)NC(CCN1CCOCC1)C(=O)CC(CCC(Cc1ccccc1)NC(=O)OCc1cccs1)Cc1ccccc1
• InChI: InChI=1S/C42H55N5O6S2.C42H55N5O5S2.C41H54N6O5S2.C41H52N4O6S2.CH4/c1-42(2,51)39-43-35(30-55-39)28-46(3)40(49)45-37(18-19-47-20-22-52-23-21-47)38(48)27-33(25-31-11-6-4-7-12-31)16-17-34(26-32-13-8-5-9-14-32)44-41(50)53-29-36-15-10-24-54-36;1-31(2)40-43-36(30-54-40)28-46(3)41(49)45-38(18-19-47-20-22-51-23-21-47)39(48)27-34(25-32-11-6-4-7-12-32)16-17-35(26-33-13-8-5-9-14-33)44-42(50)52-29-37-15-10-24-53-37;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;1-30(2)39-42-35(29-53-39)27-50-41(48)44-37(17-18-45-19-21-49-22-20-45)38(46)26-33(24-31-10-5-3-6-11-31)15-16-34(25-32-12-7-4-8-13-32)43-40(47)51-28-36-14-9-23-52-36;/h4-15,24,30,33-34,37,51H,16-23,25-29H2,1-3H3,(H,44,50)(H,45,49);4-15,24,30-31,34-35,38H,16-23,25-29H2,1-3H3,(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);3-14,23,29-30,33-34,37H,15-22,24-28H2,1-2H3,(H,43,47)(H,44,48);1H4
• InChIKey: SRYVXKQSNPMRRS-UHFFFAOYSA-N
• XLogP: 30.01
• TPSA: 491.51 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 39
• Rotatable Bonds: 80
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3116.25
LogP ≤ 5	30.01
H-Bond Donors ≤ 5	9
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 methane;(2-propan-2-yl-1,3-thiazol-4-yl)methyl N-[4-benzyl-1-(2-morpholin-4-ylethyl)-2-oxo-8-phenyl-7-(thiophen-2-ylmethoxycarbonylamino)octyl]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;thiophen-2-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;thiophen-2-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?

The IUPAC name of methane;(2-propan-2-yl-1,3-thiazol-4-yl)methyl N-[4-benzyl-1-(2-morpholin-4-ylethyl)-2-oxo-8-phenyl-7-(thiophen-2-ylmethoxycarbonylamino)octyl]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;thiophen-2-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;thiophen-2-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 (CID 160920530) is methane;(2-propan-2-yl-1,3-thiazol-4-yl)methyl N-[4-benzyl-1-(2-morpholin-4-ylethyl)-2-oxo-8-phenyl-7-(thiophen-2-ylmethoxycarbonylamino)octyl]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;thiophen-2-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;thiophen-2-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.

What is the SMILES notation for methane;(2-propan-2-yl-1,3-thiazol-4-yl)methyl N-[4-benzyl-1-(2-morpholin-4-ylethyl)-2-oxo-8-phenyl-7-(thiophen-2-ylmethoxycarbonylamino)octyl]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;thiophen-2-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;thiophen-2-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?

The canonical SMILES for methane;(2-propan-2-yl-1,3-thiazol-4-yl)methyl N-[4-benzyl-1-(2-morpholin-4-ylethyl)-2-oxo-8-phenyl-7-(thiophen-2-ylmethoxycarbonylamino)octyl]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;thiophen-2-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;thiophen-2-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 is C.CC(C)c1nc(CN(C)C(=O)NC(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(COC(=O)NC(CCN2CCOCC2)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cccs2)Cc2ccccc2)cs1.CN(Cc1csc(C(C)(C)O)n1)C(=O)NC(CCN1CCOCC1)C(=O)CC(CCC(Cc1ccccc1)NC(=O)OCc1cccs1)Cc1ccccc1.

What is the InChIKey of methane;(2-propan-2-yl-1,3-thiazol-4-yl)methyl N-[4-benzyl-1-(2-morpholin-4-ylethyl)-2-oxo-8-phenyl-7-(thiophen-2-ylmethoxycarbonylamino)octyl]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;thiophen-2-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;thiophen-2-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?

The InChIKey is SRYVXKQSNPMRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H55N5O6S2.C42H55N5O5S2.C41H54N6O5S2.C41H52N4O6S2.CH4/c1-42(2,51)39-43-35(30-55-39)28-46(3)40(49)45-37(18-19-47-20-22-52-23-21-47)38(48)27-33(25-31-11-6-4-7-12-31)16-17-34(26-32-13-8-5-9-14-32)44-41(50)53-29-36-15-10-24-54-36;1-31(2)40-43-36(30-54-40)28-46(3)41(49)45-38(18-19-47-20-22-51-23-21-47)39(48)27-34(25-32-11-6-4-7-12-32)16-17-35(26-33-13-8-5-9-14-33)44-42(50)52-29-37-15-10-24-53-37;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;1-30(2)39-42-35(29-53-39)27-50-41(48)44-37(17-18-45-19-21-49-22-20-45)38(46)26-33(24-31-10-5-3-6-11-31)15-16-34(25-32-12-7-4-8-13-32)43-40(47)51-28-36-14-9-23-52-36;/h4-15,24,30,33-34,37,51H,16-23,25-29H2,1-3H3,(H,44,50)(H,45,49);4-15,24,30-31,34-35,38H,16-23,25-29H2,1-3H3,(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);3-14,23,29-30,33-34,37H,15-22,24-28H2,1-2H3,(H,43,47)(H,44,48);1H4.

What are the key properties of methane;(2-propan-2-yl-1,3-thiazol-4-yl)methyl N-[4-benzyl-1-(2-morpholin-4-ylethyl)-2-oxo-8-phenyl-7-(thiophen-2-ylmethoxycarbonylamino)octyl]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;thiophen-2-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;thiophen-2-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?

methane;(2-propan-2-yl-1,3-thiazol-4-yl)methyl N-[4-benzyl-1-(2-morpholin-4-ylethyl)-2-oxo-8-phenyl-7-(thiophen-2-ylmethoxycarbonylamino)octyl]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;thiophen-2-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;thiophen-2-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 has a molecular weight of 3116.25 g/mol, XLogP of 30.01, 80 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for methane;(2-propan-2-yl-1,3-thiazol-4-yl)methyl N-[4-benzyl-1-(2-morpholin-4-ylethyl)-2-oxo-8-phenyl-7-(thiophen-2-ylmethoxycarbonylamino)octyl]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;thiophen-2-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;thiophen-2-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 is sourced from PubChem (CID 160920530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).