About (2R)-5-(2-amino-1,3-thiazol-5-yl)-N-[(2S,5R)-5-(cyclopenten-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxopentanamide;(2R)-5-[2-(azetidin-1-yl)-1,3-thiazol-5-yl]-N-[(2S,5R)-5-(cyclopenten-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopenten-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-[2-(dimethylamino)-1,3-thiazol-5-yl]-2-methyl-4-oxopentanamide;(5R)-N-[(2R,5R)-5-[(4-methoxyphenyl)methyl]-6-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
(2R)-5-(2-amino-1,3-thiazol-5-yl)-N-[(2S,5R)-5-(cyclopenten-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxopentanamide;(2R)-5-[2-(azetidin-1-yl)-1,3-thiazol-5-yl]-N-[(2S,5R)-5-(cyclopenten-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopenten-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-[2-(dimethylamino)-1,3-thiazol-5-yl]-2-methyl-4-oxopentanamide;(5R)-N-[(2R,5R)-5-[(4-methoxyphenyl)methyl]-6-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (PubChem CID 161427170) has the molecular formula C132H165N13O24S3
and a molecular weight of 2414.04 g/mol. Its IUPAC name is (2R)-5-(2-amino-1,3-thiazol-5-yl)-N-[(2S,5R)-5-(cyclopenten-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxopentanamide;(2R)-5-[2-(azetidin-1-yl)-1,3-thiazol-5-yl]-N-[(2S,5R)-5-(cyclopenten-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopenten-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-[2-(dimethylamino)-1,3-thiazol-5-yl]-2-methyl-4-oxopentanamide;(5R)-N-[(2R,5R)-5-[(4-methoxyphenyl)methyl]-6-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.
Frequently Asked Questions
What is the IUPAC name of (2R)-5-(2-amino-1,3-thiazol-5-yl)-N-[(2S,5R)-5-(cyclopenten-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxopentanamide;(2R)-5-[2-(azetidin-1-yl)-1,3-thiazol-5-yl]-N-[(2S,5R)-5-(cyclopenten-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopenten-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-[2-(dimethylamino)-1,3-thiazol-5-yl]-2-methyl-4-oxopentanamide;(5R)-N-[(2R,5R)-5-[(4-methoxyphenyl)methyl]-6-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The IUPAC name of (2R)-5-(2-amino-1,3-thiazol-5-yl)-N-[(2S,5R)-5-(cyclopenten-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxopentanamide;(2R)-5-[2-(azetidin-1-yl)-1,3-thiazol-5-yl]-N-[(2S,5R)-5-(cyclopenten-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopenten-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-[2-(dimethylamino)-1,3-thiazol-5-yl]-2-methyl-4-oxopentanamide;(5R)-N-[(2R,5R)-5-[(4-methoxyphenyl)methyl]-6-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (CID 161427170) is (2R)-5-(2-amino-1,3-thiazol-5-yl)-N-[(2S,5R)-5-(cyclopenten-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxopentanamide;(2R)-5-[2-(azetidin-1-yl)-1,3-thiazol-5-yl]-N-[(2S,5R)-5-(cyclopenten-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopenten-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-[2-(dimethylamino)-1,3-thiazol-5-yl]-2-methyl-4-oxopentanamide;(5R)-N-[(2R,5R)-5-[(4-methoxyphenyl)methyl]-6-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.
What is the SMILES notation for (2R)-5-(2-amino-1,3-thiazol-5-yl)-N-[(2S,5R)-5-(cyclopenten-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxopentanamide;(2R)-5-[2-(azetidin-1-yl)-1,3-thiazol-5-yl]-N-[(2S,5R)-5-(cyclopenten-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopenten-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-[2-(dimethylamino)-1,3-thiazol-5-yl]-2-methyl-4-oxopentanamide;(5R)-N-[(2R,5R)-5-[(4-methoxyphenyl)methyl]-6-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The canonical SMILES for (2R)-5-(2-amino-1,3-thiazol-5-yl)-N-[(2S,5R)-5-(cyclopenten-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxopentanamide;(2R)-5-[2-(azetidin-1-yl)-1,3-thiazol-5-yl]-N-[(2S,5R)-5-(cyclopenten-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopenten-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-[2-(dimethylamino)-1,3-thiazol-5-yl]-2-methyl-4-oxopentanamide;(5R)-N-[(2R,5R)-5-[(4-methoxyphenyl)methyl]-6-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is COc1ccc(C[C@H](CC(=O)[C@@H](C)NC(=O)[C@@H]2CCc3[nH]ncc3C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1.COc1ccc(C[C@H](NC(=O)[C@H](C)CC(=O)Cc2cnc(N(C)C)s2)C(=O)C[C@@H](CC2=CCCC2)C(=O)[C@@]2(C)CO2)cc1.COc1ccc(C[C@H](NC(=O)[C@H](C)CC(=O)Cc2cnc(N)s2)C(=O)C[C@@H](CC2=CCCC2)C(=O)[C@@]2(C)CO2)cc1.COc1ccc(C[C@H](NC(=O)[C@H](C)CC(=O)Cc2cnc(N3CCC3)s2)C(=O)C[C@@H](CC2=CCCC2)C(=O)[C@@]2(C)CO2)cc1.
What is the InChIKey of (2R)-5-(2-amino-1,3-thiazol-5-yl)-N-[(2S,5R)-5-(cyclopenten-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxopentanamide;(2R)-5-[2-(azetidin-1-yl)-1,3-thiazol-5-yl]-N-[(2S,5R)-5-(cyclopenten-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopenten-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-[2-(dimethylamino)-1,3-thiazol-5-yl]-2-methyl-4-oxopentanamide;(5R)-N-[(2R,5R)-5-[(4-methoxyphenyl)methyl]-6-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The InChIKey is VXMZPAYDAOEWJA-IIHVNWKWSA-N. The full InChI is InChI=1S/C34H40N4O6.C34H43N3O6S.C33H43N3O6S.C31H39N3O6S/c1-21(36-32(41)24-11-14-28-26(17-24)19-35-38-28)30(39)18-25(15-23-9-12-27(43-3)13-10-23)33(42)37-29(31(40)34(2)20-44-34)16-22-7-5-4-6-8-22;1-22(15-26(38)19-28-20-35-33(44-28)37-13-6-14-37)32(41)36-29(17-24-9-11-27(42-3)12-10-24)30(39)18-25(16-23-7-4-5-8-23)31(40)34(2)21-43-34;1-21(14-25(37)18-27-19-34-32(43-27)36(3)4)31(40)35-28(16-23-10-12-26(41-5)13-11-23)29(38)17-24(15-22-8-6-7-9-22)30(39)33(2)20-42-33;1-19(12-23(35)16-25-17-33-30(32)41-25)29(38)34-26(14-21-8-10-24(39-3)11-9-21)27(36)15-22(13-20-6-4-5-7-20)28(37)31(2)18-40-31/h4-10,12-13,19,21,24-25,29H,11,14-18,20H2,1-3H3,(H,35,38)(H,36,41)(H,37,42);7,9-12,20,22,25,29H,4-6,8,13-19,21H2,1-3H3,(H,36,41);8,10-13,19,21,24,28H,6-7,9,14-18,20H2,1-5H3,(H,35,40);6,8-11,17,19,22,26H,4-5,7,12-16,18H2,1-3H3,(H2,32,33)(H,34,38)/t21-,24-,25-,29+,34-;22-,25-,29+,34-;21-,24-,28+,33-;19-,22-,26+,31-/m1111/s1.
What are the key properties of (2R)-5-(2-amino-1,3-thiazol-5-yl)-N-[(2S,5R)-5-(cyclopenten-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxopentanamide;(2R)-5-[2-(azetidin-1-yl)-1,3-thiazol-5-yl]-N-[(2S,5R)-5-(cyclopenten-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopenten-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-[2-(dimethylamino)-1,3-thiazol-5-yl]-2-methyl-4-oxopentanamide;(5R)-N-[(2R,5R)-5-[(4-methoxyphenyl)methyl]-6-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
(2R)-5-(2-amino-1,3-thiazol-5-yl)-N-[(2S,5R)-5-(cyclopenten-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxopentanamide;(2R)-5-[2-(azetidin-1-yl)-1,3-thiazol-5-yl]-N-[(2S,5R)-5-(cyclopenten-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopenten-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-[2-(dimethylamino)-1,3-thiazol-5-yl]-2-methyl-4-oxopentanamide;(5R)-N-[(2R,5R)-5-[(4-methoxyphenyl)methyl]-6-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide has a molecular weight of 2414.04 g/mol, XLogP of 16.14, 64 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(2-amino-1,3-thiazol-5-yl)-N-[(2S,5R)-5-(cyclopenten-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxopentanamide;(2R)-5-[2-(azetidin-1-yl)-1,3-thiazol-5-yl]-N-[(2S,5R)-5-(cyclopenten-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-2-methyl-4-oxopentanamide;(2R)-N-[(2S,5R)-5-(cyclopenten-1-ylmethyl)-1-(4-methoxyphenyl)-6-[(2R)-2-methyloxiran-2-yl]-3,6-dioxohexan-2-yl]-5-[2-(dimethylamino)-1,3-thiazol-5-yl]-2-methyl-4-oxopentanamide;(5R)-N-[(2R,5R)-5-[(4-methoxyphenyl)methyl]-6-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-3,6-dioxohexan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is sourced from PubChem (CID 161427170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).