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-[[3-hydroxy-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[3-(1-methylimidazol-4-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[4-[[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-[(E)-5-[[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhex-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoylamino]-1,6-diphenylhexan-2-yl]carbamate

C207H268N38O25S12 — CID 159760143

IUPAC1,3-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-[[3-hydroxy-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[3-(1-methylimidazol-4-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[4-[[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-[(E)-5-[[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhex-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoylamino]-1,6-diphenylhexan-2-yl]carbamate
SMILESCC(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)NC(/C=C/C(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)C(C)C)cs1.CC(C)c1nc(CN(C)C(=O)NC(C(=O)NCCCCNC(=O)OCc2cncs2)C(C)C)cs1.CC(C)c1nc(CN(C)C(=O)NC(CO)C(=O)NC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CC(C)c1nc(CN(C)C(=O)NC(Cc2cn(C)cn2)C(=O)NC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CCC(NC(=O)N(C)Cc1csc(C(C)C)n1)C(=O)NC(CCC(Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1
InChIInChI=1S/C39H48N8O4S2.C37H48N6O4S2.C37H46N6O4S2.C36H46N6O4S2.C35H44N6O5S2.C23H36N6O4S2/c1-27(2)37-43-33(24-52-37)22-47(4)38(49)45-35(19-32-21-46(3)25-41-32)36(48)42-30(17-28-11-7-5-8-12-28)15-16-31(18-29-13-9-6-10-14-29)44-39(50)51-23-34-20-40-26-53-34;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;1-25(2)33(42-36(45)43(5)21-31-23-48-35(40-31)26(3)4)34(44)39-29(18-27-12-8-6-9-13-27)16-17-30(19-28-14-10-7-11-15-28)41-37(46)47-22-32-20-38-24-49-32;1-5-32(41-35(44)42(4)21-30-23-47-34(39-30)25(2)3)33(43)38-28(18-26-12-8-6-9-13-26)16-17-29(19-27-14-10-7-11-15-27)40-36(45)46-22-31-20-37-24-48-31;1-24(2)33-38-29(22-47-33)19-41(3)34(44)40-31(20-42)32(43)37-27(16-25-10-6-4-7-11-25)14-15-28(17-26-12-8-5-9-13-26)39-35(45)46-21-30-18-36-23-48-30;1-15(2)19(28-22(31)29(5)11-17-13-34-21(27-17)16(3)4)20(30)25-8-6-7-9-26-23(32)33-12-18-10-24-14-35-18/h5-14,20-21,24-27,30-31,35H,15-19,22-23H2,1-4H3,(H,42,48)(H,44,50)(H,45,49);6-11,14-17,20,25-28,33H,12-13,18-19,21-24H2,1-5H3,(H,40,45);6-17,20,23-26,29-30,33H,18-19,21-22H2,1-5H3,(H,39,44)(H,41,46)(H,42,45);6-15,20,23-25,28-29,32H,5,16-19,21-22H2,1-4H3,(H,38,43)(H,40,45)(H,41,44);4-13,18,22-24,27-28,31,42H,14-17,19-21H2,1-3H3,(H,37,43)(H,39,45)(H,40,44);10,13-16,19H,6-9,11-12H2,1-5H3,(H,25,30)(H,26,32)(H,28,31)/b;;17-16+;;;
InChIKeyNETQDPAMKGWJRV-RNLYSOKLSA-N
MW4073.47 g/mol
LogP36.17
Rot. Bonds98

About 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-[[3-hydroxy-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[3-(1-methylimidazol-4-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[4-[[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-[(E)-5-[[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhex-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoylamino]-1,6-diphenylhexan-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-[[3-hydroxy-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[3-(1-methylimidazol-4-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[4-[[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-[(E)-5-[[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhex-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoylamino]-1,6-diphenylhexan-2-yl]carbamate (PubChem CID 159760143) has the molecular formula C207H268N38O25S12 and a molecular weight of 4073.47 g/mol. Its IUPAC name is 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-[[3-hydroxy-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[3-(1-methylimidazol-4-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[4-[[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-[(E)-5-[[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhex-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoylamino]-1,6-diphenylhexan-2-yl]carbamate.

Molecular Properties

Compound Name1,3-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-[[3-hydroxy-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[3-(1-methylimidazol-4-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[4-[[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-[(E)-5-[[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhex-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoylamino]-1,6-diphenylhexan-2-yl]carbamate
PubChem CID159760143
Molecular FormulaC207H268N38O25S12
Molecular Weight4073.47 g/mol
Exact Mass4069.75
IUPAC Name1,3-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-[[3-hydroxy-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[3-(1-methylimidazol-4-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[4-[[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-[(E)-5-[[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhex-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoylamino]-1,6-diphenylhexan-2-yl]carbamate
SMILESCC(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)NC(/C=C/C(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)C(C)C)cs1.CC(C)c1nc(CN(C)C(=O)NC(C(=O)NCCCCNC(=O)OCc2cncs2)C(C)C)cs1.CC(C)c1nc(CN(C)C(=O)NC(CO)C(=O)NC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CC(C)c1nc(CN(C)C(=O)NC(Cc2cn(C)cn2)C(=O)NC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CCC(NC(=O)N(C)Cc1csc(C(C)C)n1)C(=O)NC(CCC(Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1
InChIInChI=1S/C39H48N8O4S2.C37H48N6O4S2.C37H46N6O4S2.C36H46N6O4S2.C35H44N6O5S2.C23H36N6O4S2/c1-27(2)37-43-33(24-52-37)22-47(4)38(49)45-35(19-32-21-46(3)25-41-32)36(48)42-30(17-28-11-7-5-8-12-28)15-16-31(18-29-13-9-6-10-14-29)44-39(50)51-23-34-20-40-26-53-34;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;1-25(2)33(42-36(45)43(5)21-31-23-48-35(40-31)26(3)4)34(44)39-29(18-27-12-8-6-9-13-27)16-17-30(19-28-14-10-7-11-15-28)41-37(46)47-22-32-20-38-24-49-32;1-5-32(41-35(44)42(4)21-30-23-47-34(39-30)25(2)3)33(43)38-28(18-26-12-8-6-9-13-26)16-17-29(19-27-14-10-7-11-15-27)40-36(45)46-22-31-20-37-24-48-31;1-24(2)33-38-29(22-47-33)19-41(3)34(44)40-31(20-42)32(43)37-27(16-25-10-6-4-7-11-25)14-15-28(17-26-12-8-5-9-13-26)39-35(45)46-21-30-18-36-23-48-30;1-15(2)19(28-22(31)29(5)11-17-13-34-21(27-17)16(3)4)20(30)25-8-6-7-9-26-23(32)33-12-18-10-24-14-35-18/h5-14,20-21,24-27,30-31,35H,15-19,22-23H2,1-4H3,(H,42,48)(H,44,50)(H,45,49);6-11,14-17,20,25-28,33H,12-13,18-19,21-24H2,1-5H3,(H,40,45);6-17,20,23-26,29-30,33H,18-19,21-22H2,1-5H3,(H,39,44)(H,41,46)(H,42,45);6-15,20,23-25,28-29,32H,5,16-19,21-22H2,1-4H3,(H,38,43)(H,40,45)(H,41,44);4-13,18,22-24,27-28,31,42H,14-17,19-21H2,1-3H3,(H,37,43)(H,39,45)(H,40,44);10,13-16,19H,6-9,11-12H2,1-5H3,(H,25,30)(H,26,32)(H,28,31)/b;;17-16+;;;
InChIKeyNETQDPAMKGWJRV-RNLYSOKLSA-N
XLogP36.17
TPSA773.77 Ų
H-Bond Donors17
H-Bond Acceptors51
Rotatable Bonds98
Heavy Atoms282
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004073.47
LogP ≤ 536.17
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

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

Analyze 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-[[3-hydroxy-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[3-(1-methylimidazol-4-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[4-[[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-[(E)-5-[[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhex-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoylamino]-1,6-diphenylhexan-2-yl]carbamate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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-[[3-hydroxy-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[3-(1-methylimidazol-4-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[4-[[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-[(E)-5-[[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhex-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoylamino]-1,6-diphenylhexan-2-yl]carbamate?
The IUPAC name of 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-[[3-hydroxy-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[3-(1-methylimidazol-4-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[4-[[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-[(E)-5-[[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhex-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoylamino]-1,6-diphenylhexan-2-yl]carbamate (CID 159760143) is 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-[[3-hydroxy-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[3-(1-methylimidazol-4-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[4-[[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-[(E)-5-[[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhex-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoylamino]-1,6-diphenylhexan-2-yl]carbamate.
What is the SMILES notation for 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-[[3-hydroxy-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[3-(1-methylimidazol-4-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[4-[[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-[(E)-5-[[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhex-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoylamino]-1,6-diphenylhexan-2-yl]carbamate?
The canonical SMILES for 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-[[3-hydroxy-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[3-(1-methylimidazol-4-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[4-[[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-[(E)-5-[[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhex-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoylamino]-1,6-diphenylhexan-2-yl]carbamate is 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)NC(/C=C/C(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)C(C)C)cs1.CC(C)c1nc(CN(C)C(=O)NC(C(=O)NCCCCNC(=O)OCc2cncs2)C(C)C)cs1.CC(C)c1nc(CN(C)C(=O)NC(CO)C(=O)NC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CC(C)c1nc(CN(C)C(=O)NC(Cc2cn(C)cn2)C(=O)NC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CCC(NC(=O)N(C)Cc1csc(C(C)C)n1)C(=O)NC(CCC(Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1.
What is the InChIKey of 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-[[3-hydroxy-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[3-(1-methylimidazol-4-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[4-[[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-[(E)-5-[[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhex-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoylamino]-1,6-diphenylhexan-2-yl]carbamate?
The InChIKey is NETQDPAMKGWJRV-RNLYSOKLSA-N. The full InChI is InChI=1S/C39H48N8O4S2.C37H48N6O4S2.C37H46N6O4S2.C36H46N6O4S2.C35H44N6O5S2.C23H36N6O4S2/c1-27(2)37-43-33(24-52-37)22-47(4)38(49)45-35(19-32-21-46(3)25-41-32)36(48)42-30(17-28-11-7-5-8-12-28)15-16-31(18-29-13-9-6-10-14-29)44-39(50)51-23-34-20-40-26-53-34;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;1-25(2)33(42-36(45)43(5)21-31-23-48-35(40-31)26(3)4)34(44)39-29(18-27-12-8-6-9-13-27)16-17-30(19-28-14-10-7-11-15-28)41-37(46)47-22-32-20-38-24-49-32;1-5-32(41-35(44)42(4)21-30-23-47-34(39-30)25(2)3)33(43)38-28(18-26-12-8-6-9-13-26)16-17-29(19-27-14-10-7-11-15-27)40-36(45)46-22-31-20-37-24-48-31;1-24(2)33-38-29(22-47-33)19-41(3)34(44)40-31(20-42)32(43)37-27(16-25-10-6-4-7-11-25)14-15-28(17-26-12-8-5-9-13-26)39-35(45)46-21-30-18-36-23-48-30;1-15(2)19(28-22(31)29(5)11-17-13-34-21(27-17)16(3)4)20(30)25-8-6-7-9-26-23(32)33-12-18-10-24-14-35-18/h5-14,20-21,24-27,30-31,35H,15-19,22-23H2,1-4H3,(H,42,48)(H,44,50)(H,45,49);6-11,14-17,20,25-28,33H,12-13,18-19,21-24H2,1-5H3,(H,40,45);6-17,20,23-26,29-30,33H,18-19,21-22H2,1-5H3,(H,39,44)(H,41,46)(H,42,45);6-15,20,23-25,28-29,32H,5,16-19,21-22H2,1-4H3,(H,38,43)(H,40,45)(H,41,44);4-13,18,22-24,27-28,31,42H,14-17,19-21H2,1-3H3,(H,37,43)(H,39,45)(H,40,44);10,13-16,19H,6-9,11-12H2,1-5H3,(H,25,30)(H,26,32)(H,28,31)/b;;17-16+;;;.
What are the key properties of 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-[[3-hydroxy-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[3-(1-methylimidazol-4-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[4-[[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-[(E)-5-[[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhex-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoylamino]-1,6-diphenylhexan-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-[[3-hydroxy-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[3-(1-methylimidazol-4-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[4-[[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-[(E)-5-[[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhex-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoylamino]-1,6-diphenylhexan-2-yl]carbamate has a molecular weight of 4073.47 g/mol, XLogP of 36.17, 98 rotatable bonds, 17 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 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-[[3-hydroxy-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[3-(1-methylimidazol-4-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[4-[[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-[(E)-5-[[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhex-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoylamino]-1,6-diphenylhexan-2-yl]carbamate is sourced from PubChem (CID 159760143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).