1,3-thiazol-5-ylmethyl N-[5-benzyl-9-hydroxy-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-(1-methylimidazol-4-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[(E)-5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldec-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-[(2-methylpropan-2-yl)oxy]-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[methyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-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

C216H281N33O26S12 — CID 157203892

IUPAC1,3-thiazol-5-ylmethyl N-[5-benzyl-9-hydroxy-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-(1-methylimidazol-4-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[(E)-5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldec-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-[(2-methylpropan-2-yl)oxy]-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[methyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-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
SMILESCC(C)c1nc(CN(C)C(=O)NC(C(=O)CC(/C=C/C(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)C(C)C)cs1.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(C)C(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)C(C)C)cs1.CC(C)c1nc(CN(C)C(=O)NC(CO)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CC(C)c1nc(CN(C)C(=O)NC(COC(C)(C)C)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CC(C)c1nc(CN(C)C(=O)NC(Cc2cn(C)cn2)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1
InChIInChI=1S/C40H49N7O4S2.C40H53N5O5S2.C38H50N6O4S2.C38H47N5O4S2.C36H45N5O5S2.C24H37N5O4S2/c1-28(2)38-43-34(25-52-38)23-47(4)39(49)45-36(20-33-22-46(3)26-42-33)37(48)19-31(17-29-11-7-5-8-12-29)15-16-32(18-30-13-9-6-10-14-30)44-40(50)51-24-35-21-41-27-53-35;1-28(2)37-42-33(26-51-37)23-45(6)38(47)44-35(25-50-40(3,4)5)36(46)21-31(19-29-13-9-7-10-14-29)17-18-32(20-30-15-11-8-12-16-30)43-39(48)49-24-34-22-41-27-52-34;1-26(2)34(42-37(46)43(5)22-31-24-49-35(40-31)27(3)4)36(45)44(6)32(20-29-15-11-8-12-16-29)18-17-30(19-28-13-9-7-10-14-28)41-38(47)48-23-33-21-39-25-50-33;1-26(2)35(42-37(45)43(5)22-32-24-48-36(40-32)27(3)4)34(44)20-30(18-28-12-8-6-9-13-28)16-17-31(19-29-14-10-7-11-15-29)41-38(46)47-23-33-21-39-25-49-33;1-25(2)34-38-30(23-47-34)20-41(3)35(44)40-32(21-42)33(43)18-28(16-26-10-6-4-7-11-26)14-15-29(17-27-12-8-5-9-13-27)39-36(45)46-22-31-19-37-24-48-31;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/h5-14,21-22,25-28,31-32,36H,15-20,23-24H2,1-4H3,(H,44,50)(H,45,49);7-16,22,26-28,31-32,35H,17-21,23-25H2,1-6H3,(H,43,48)(H,44,47);7-16,21,24-27,30,32,34H,17-20,22-23H2,1-6H3,(H,41,47)(H,42,46);6-17,21,24-27,30-31,35H,18-20,22-23H2,1-5H3,(H,41,46)(H,42,45);4-13,19,23-25,28-29,32,42H,14-18,20-22H2,1-3H3,(H,39,45)(H,40,44);11,14-17,21H,6-10,12-13H2,1-5H3,(H,26,32)(H,28,31)/b;;;17-16+;;
InChIKeyARCTYLPFWSFKQA-DABJWOLMSA-N
MW4140.63 g/mol
LogP41.91
Rot. Bonds104

About 1,3-thiazol-5-ylmethyl N-[5-benzyl-9-hydroxy-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-(1-methylimidazol-4-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[(E)-5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldec-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-[(2-methylpropan-2-yl)oxy]-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[methyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-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

1,3-thiazol-5-ylmethyl N-[5-benzyl-9-hydroxy-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-(1-methylimidazol-4-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[(E)-5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldec-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-[(2-methylpropan-2-yl)oxy]-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[methyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-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 (PubChem CID 157203892) has the molecular formula C216H281N33O26S12 and a molecular weight of 4140.63 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethyl N-[5-benzyl-9-hydroxy-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-(1-methylimidazol-4-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[(E)-5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldec-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-[(2-methylpropan-2-yl)oxy]-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[methyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-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.

Molecular Properties

Compound Name1,3-thiazol-5-ylmethyl N-[5-benzyl-9-hydroxy-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-(1-methylimidazol-4-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[(E)-5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldec-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-[(2-methylpropan-2-yl)oxy]-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[methyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-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
PubChem CID157203892
Molecular FormulaC216H281N33O26S12
Molecular Weight4140.63 g/mol
Exact Mass4136.83
IUPAC Name1,3-thiazol-5-ylmethyl N-[5-benzyl-9-hydroxy-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-(1-methylimidazol-4-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[(E)-5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldec-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-[(2-methylpropan-2-yl)oxy]-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[methyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-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
SMILESCC(C)c1nc(CN(C)C(=O)NC(C(=O)CC(/C=C/C(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)C(C)C)cs1.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(C)C(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)C(C)C)cs1.CC(C)c1nc(CN(C)C(=O)NC(CO)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CC(C)c1nc(CN(C)C(=O)NC(COC(C)(C)C)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CC(C)c1nc(CN(C)C(=O)NC(Cc2cn(C)cn2)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1
InChIInChI=1S/C40H49N7O4S2.C40H53N5O5S2.C38H50N6O4S2.C38H47N5O4S2.C36H45N5O5S2.C24H37N5O4S2/c1-28(2)38-43-34(25-52-38)23-47(4)39(49)45-36(20-33-22-46(3)26-42-33)37(48)19-31(17-29-11-7-5-8-12-29)15-16-32(18-30-13-9-6-10-14-30)44-40(50)51-24-35-21-41-27-53-35;1-28(2)37-42-33(26-51-37)23-45(6)38(47)44-35(25-50-40(3,4)5)36(46)21-31(19-29-13-9-7-10-14-29)17-18-32(20-30-15-11-8-12-16-30)43-39(48)49-24-34-22-41-27-52-34;1-26(2)34(42-37(46)43(5)22-31-24-49-35(40-31)27(3)4)36(45)44(6)32(20-29-15-11-8-12-16-29)18-17-30(19-28-13-9-7-10-14-28)41-38(47)48-23-33-21-39-25-50-33;1-26(2)35(42-37(45)43(5)22-32-24-48-36(40-32)27(3)4)34(44)20-30(18-28-12-8-6-9-13-28)16-17-31(19-29-14-10-7-11-15-29)41-38(46)47-23-33-21-39-25-49-33;1-25(2)34-38-30(23-47-34)20-41(3)35(44)40-32(21-42)33(43)18-28(16-26-10-6-4-7-11-26)14-15-29(17-27-12-8-5-9-13-27)39-36(45)46-22-31-19-37-24-48-31;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/h5-14,21-22,25-28,31-32,36H,15-20,23-24H2,1-4H3,(H,44,50)(H,45,49);7-16,22,26-28,31-32,35H,17-21,23-25H2,1-6H3,(H,43,48)(H,44,47);7-16,21,24-27,30,32,34H,17-20,22-23H2,1-6H3,(H,41,47)(H,42,46);6-17,21,24-27,30-31,35H,18-20,22-23H2,1-5H3,(H,41,46)(H,42,45);4-13,19,23-25,28-29,32,42H,14-18,20-22H2,1-3H3,(H,39,45)(H,40,44);11,14-17,21H,6-10,12-13H2,1-5H3,(H,26,32)(H,28,31)/b;;;17-16+;;
InChIKeyARCTYLPFWSFKQA-DABJWOLMSA-N
XLogP41.91
TPSA731.64 Ų
H-Bond Donors13
H-Bond Acceptors52
Rotatable Bonds104
Heavy Atoms287
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004140.63
LogP ≤ 541.91
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1052

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-[5-benzyl-9-hydroxy-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-(1-methylimidazol-4-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[(E)-5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldec-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-[(2-methylpropan-2-yl)oxy]-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[methyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-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 with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-5-ylmethyl N-[5-benzyl-9-hydroxy-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-(1-methylimidazol-4-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[(E)-5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldec-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-[(2-methylpropan-2-yl)oxy]-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[methyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-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?
The IUPAC name of 1,3-thiazol-5-ylmethyl N-[5-benzyl-9-hydroxy-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-(1-methylimidazol-4-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[(E)-5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldec-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-[(2-methylpropan-2-yl)oxy]-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[methyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-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 (CID 157203892) is 1,3-thiazol-5-ylmethyl N-[5-benzyl-9-hydroxy-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-(1-methylimidazol-4-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[(E)-5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldec-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-[(2-methylpropan-2-yl)oxy]-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[methyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-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.
What is the SMILES notation for 1,3-thiazol-5-ylmethyl N-[5-benzyl-9-hydroxy-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-(1-methylimidazol-4-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[(E)-5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldec-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-[(2-methylpropan-2-yl)oxy]-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[methyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-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?
The canonical SMILES for 1,3-thiazol-5-ylmethyl N-[5-benzyl-9-hydroxy-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-(1-methylimidazol-4-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[(E)-5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldec-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-[(2-methylpropan-2-yl)oxy]-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[methyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-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 is CC(C)c1nc(CN(C)C(=O)NC(C(=O)CC(/C=C/C(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)C(C)C)cs1.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(C)C(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)C(C)C)cs1.CC(C)c1nc(CN(C)C(=O)NC(CO)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CC(C)c1nc(CN(C)C(=O)NC(COC(C)(C)C)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CC(C)c1nc(CN(C)C(=O)NC(Cc2cn(C)cn2)C(=O)CC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.
What is the InChIKey of 1,3-thiazol-5-ylmethyl N-[5-benzyl-9-hydroxy-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-(1-methylimidazol-4-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[(E)-5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldec-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-[(2-methylpropan-2-yl)oxy]-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[methyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-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?
The InChIKey is ARCTYLPFWSFKQA-DABJWOLMSA-N. The full InChI is InChI=1S/C40H49N7O4S2.C40H53N5O5S2.C38H50N6O4S2.C38H47N5O4S2.C36H45N5O5S2.C24H37N5O4S2/c1-28(2)38-43-34(25-52-38)23-47(4)39(49)45-36(20-33-22-46(3)26-42-33)37(48)19-31(17-29-11-7-5-8-12-29)15-16-32(18-30-13-9-6-10-14-30)44-40(50)51-24-35-21-41-27-53-35;1-28(2)37-42-33(26-51-37)23-45(6)38(47)44-35(25-50-40(3,4)5)36(46)21-31(19-29-13-9-7-10-14-29)17-18-32(20-30-15-11-8-12-16-30)43-39(48)49-24-34-22-41-27-52-34;1-26(2)34(42-37(46)43(5)22-31-24-49-35(40-31)27(3)4)36(45)44(6)32(20-29-15-11-8-12-16-29)18-17-30(19-28-13-9-7-10-14-28)41-38(47)48-23-33-21-39-25-50-33;1-26(2)35(42-37(45)43(5)22-32-24-48-36(40-32)27(3)4)34(44)20-30(18-28-12-8-6-9-13-28)16-17-31(19-29-14-10-7-11-15-29)41-38(46)47-23-33-21-39-25-49-33;1-25(2)34-38-30(23-47-34)20-41(3)35(44)40-32(21-42)33(43)18-28(16-26-10-6-4-7-11-26)14-15-29(17-27-12-8-5-9-13-27)39-36(45)46-22-31-19-37-24-48-31;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/h5-14,21-22,25-28,31-32,36H,15-20,23-24H2,1-4H3,(H,44,50)(H,45,49);7-16,22,26-28,31-32,35H,17-21,23-25H2,1-6H3,(H,43,48)(H,44,47);7-16,21,24-27,30,32,34H,17-20,22-23H2,1-6H3,(H,41,47)(H,42,46);6-17,21,24-27,30-31,35H,18-20,22-23H2,1-5H3,(H,41,46)(H,42,45);4-13,19,23-25,28-29,32,42H,14-18,20-22H2,1-3H3,(H,39,45)(H,40,44);11,14-17,21H,6-10,12-13H2,1-5H3,(H,26,32)(H,28,31)/b;;;17-16+;;.
What are the key properties of 1,3-thiazol-5-ylmethyl N-[5-benzyl-9-hydroxy-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-(1-methylimidazol-4-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[(E)-5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldec-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-[(2-methylpropan-2-yl)oxy]-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[methyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-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?
1,3-thiazol-5-ylmethyl N-[5-benzyl-9-hydroxy-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-(1-methylimidazol-4-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[(E)-5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldec-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-[(2-methylpropan-2-yl)oxy]-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[methyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-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 has a molecular weight of 4140.63 g/mol, XLogP of 41.91, 104 rotatable bonds, 13 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-5-ylmethyl N-[5-benzyl-9-hydroxy-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-(1-methylimidazol-4-yl)-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[(E)-5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldec-3-en-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-[(2-methylpropan-2-yl)oxy]-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[methyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-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 is sourced from PubChem (CID 157203892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).