About 4-[[1,6-diphenyl-5-(1,3-thiazol-5-ylmethoxycarbonylamino)hexan-2-yl]amino]-3-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoic acid;1,3-thiazol-5-ylmethyl N-[5-[[4-amino-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl 4-[[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]piperidine-1-carboxylate;1,3-thiazol-5-ylmethyl N-[1-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]piperidin-4-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[3-methyl-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxopentanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
4-[[1,6-diphenyl-5-(1,3-thiazol-5-ylmethoxycarbonylamino)hexan-2-yl]amino]-3-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoic acid;1,3-thiazol-5-ylmethyl N-[5-[[4-amino-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl 4-[[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]piperidine-1-carboxylate;1,3-thiazol-5-ylmethyl N-[1-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]piperidin-4-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[3-methyl-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxopentanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate (PubChem CID 90874391) has the molecular formula C191H249N37O28S12
and a molecular weight of 3896.13 g/mol. Its IUPAC name is 4-[[1,6-diphenyl-5-(1,3-thiazol-5-ylmethoxycarbonylamino)hexan-2-yl]amino]-3-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoic acid;1,3-thiazol-5-ylmethyl N-[5-[[4-amino-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl 4-[[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]piperidine-1-carboxylate;1,3-thiazol-5-ylmethyl N-[1-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]piperidin-4-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[3-methyl-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxopentanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate.
Frequently Asked Questions
What is the IUPAC name of 4-[[1,6-diphenyl-5-(1,3-thiazol-5-ylmethoxycarbonylamino)hexan-2-yl]amino]-3-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoic acid;1,3-thiazol-5-ylmethyl N-[5-[[4-amino-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl 4-[[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]piperidine-1-carboxylate;1,3-thiazol-5-ylmethyl N-[1-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]piperidin-4-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[3-methyl-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxopentanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate?
The IUPAC name of 4-[[1,6-diphenyl-5-(1,3-thiazol-5-ylmethoxycarbonylamino)hexan-2-yl]amino]-3-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoic acid;1,3-thiazol-5-ylmethyl N-[5-[[4-amino-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl 4-[[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]piperidine-1-carboxylate;1,3-thiazol-5-ylmethyl N-[1-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]piperidin-4-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[3-methyl-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxopentanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate (CID 90874391) is 4-[[1,6-diphenyl-5-(1,3-thiazol-5-ylmethoxycarbonylamino)hexan-2-yl]amino]-3-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoic acid;1,3-thiazol-5-ylmethyl N-[5-[[4-amino-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl 4-[[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]piperidine-1-carboxylate;1,3-thiazol-5-ylmethyl N-[1-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]piperidin-4-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[3-methyl-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxopentanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate.
What is the SMILES notation for 4-[[1,6-diphenyl-5-(1,3-thiazol-5-ylmethoxycarbonylamino)hexan-2-yl]amino]-3-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoic acid;1,3-thiazol-5-ylmethyl N-[5-[[4-amino-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl 4-[[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]piperidine-1-carboxylate;1,3-thiazol-5-ylmethyl N-[1-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]piperidin-4-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[3-methyl-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxopentanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate?
The canonical SMILES for 4-[[1,6-diphenyl-5-(1,3-thiazol-5-ylmethoxycarbonylamino)hexan-2-yl]amino]-3-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoic acid;1,3-thiazol-5-ylmethyl N-[5-[[4-amino-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl 4-[[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]piperidine-1-carboxylate;1,3-thiazol-5-ylmethyl N-[1-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]piperidin-4-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[3-methyl-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxopentanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate is CC(=O)CC(NC(=O)N(C)Cc1csc(C(C)C)n1)C(=O)NC(CCC(Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1.CC(C)C(NC(=O)N(C)Cc1cncs1)C(=O)NC(CCC(Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1.CC(C)c1nc(CN(C)C(=O)NC(C(=O)N2CCC(NC(=O)OCc3cncs3)CC2)C(C)C)cs1.CC(C)c1nc(CN(C)C(=O)NC(C(=O)NC2CCN(C(=O)OCc3cncs3)CC2)C(C)C)cs1.CC(C)c1nc(CN(C)C(=O)NC(CC(=O)O)C(=O)NC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CC(C)c1nc(CN(C)C(=O)NC(CC(N)=O)C(=O)NC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.
What is the InChIKey of 4-[[1,6-diphenyl-5-(1,3-thiazol-5-ylmethoxycarbonylamino)hexan-2-yl]amino]-3-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoic acid;1,3-thiazol-5-ylmethyl N-[5-[[4-amino-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl 4-[[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]piperidine-1-carboxylate;1,3-thiazol-5-ylmethyl N-[1-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]piperidin-4-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[3-methyl-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxopentanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate?
The InChIKey is HEXRGAHWVPJOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H46N6O5S2.C36H45N7O5S2.C36H44N6O6S2.C34H42N6O4S2.2C24H36N6O4S2/c1-25(2)35-40-31(23-49-35)21-43(4)36(46)42-33(17-26(3)44)34(45)39-29(18-27-11-7-5-8-12-27)15-16-30(19-28-13-9-6-10-14-28)41-37(47)48-22-32-20-38-24-50-32;1-24(2)34-40-29(22-49-34)20-43(3)35(46)42-31(18-32(37)44)33(45)39-27(16-25-10-6-4-7-11-25)14-15-28(17-26-12-8-5-9-13-26)41-36(47)48-21-30-19-38-23-50-30;1-24(2)34-39-29(22-49-34)20-42(3)35(46)41-31(18-32(43)44)33(45)38-27(16-25-10-6-4-7-11-25)14-15-28(17-26-12-8-5-9-13-26)40-36(47)48-21-30-19-37-23-50-30;1-24(2)31(39-33(42)40(3)20-29-18-35-22-45-29)32(41)37-27(16-25-10-6-4-7-11-25)14-15-28(17-26-12-8-5-9-13-26)38-34(43)44-21-30-19-36-23-46-30;1-15(2)20(28-23(32)29(5)11-18-13-35-22(27-18)16(3)4)21(31)26-17-6-8-30(9-7-17)24(33)34-12-19-10-25-14-36-19;1-15(2)20(28-23(32)29(5)11-18-13-35-21(26-18)16(3)4)22(31)30-8-6-17(7-9-30)27-24(33)34-12-19-10-25-14-36-19/h5-14,20,23-25,29-30,33H,15-19,21-22H2,1-4H3,(H,39,45)(H,41,47)(H,42,46);4-13,19,22-24,27-28,31H,14-18,20-21H2,1-3H3,(H2,37,44)(H,39,45)(H,41,47)(H,42,46);4-13,19,22-24,27-28,31H,14-18,20-21H2,1-3H3,(H,38,45)(H,40,47)(H,41,46)(H,43,44);4-13,18-19,22-24,27-28,31H,14-17,20-21H2,1-3H3,(H,37,41)(H,38,43)(H,39,42);10,13-17,20H,6-9,11-12H2,1-5H3,(H,26,31)(H,28,32);10,13-17,20H,6-9,11-12H2,1-5H3,(H,27,33)(H,28,32).
What are the key properties of 4-[[1,6-diphenyl-5-(1,3-thiazol-5-ylmethoxycarbonylamino)hexan-2-yl]amino]-3-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoic acid;1,3-thiazol-5-ylmethyl N-[5-[[4-amino-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl 4-[[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]piperidine-1-carboxylate;1,3-thiazol-5-ylmethyl N-[1-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]piperidin-4-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[3-methyl-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxopentanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate?
4-[[1,6-diphenyl-5-(1,3-thiazol-5-ylmethoxycarbonylamino)hexan-2-yl]amino]-3-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoic acid;1,3-thiazol-5-ylmethyl N-[5-[[4-amino-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl 4-[[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]piperidine-1-carboxylate;1,3-thiazol-5-ylmethyl N-[1-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]piperidin-4-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[3-methyl-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxopentanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate has a molecular weight of 3896.13 g/mol, XLogP of 30.59, 88 rotatable bonds, 18 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1,6-diphenyl-5-(1,3-thiazol-5-ylmethoxycarbonylamino)hexan-2-yl]amino]-3-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoic acid;1,3-thiazol-5-ylmethyl N-[5-[[4-amino-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl 4-[[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]piperidine-1-carboxylate;1,3-thiazol-5-ylmethyl N-[1-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]piperidin-4-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[3-methyl-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxopentanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate is sourced from PubChem (CID 90874391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).