About N-[(3S,6R)-6-(1,3-benzothiazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;(2S)-N'-tert-butyl-N-[1-(4-fluoro-1H-benzimidazol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylamino]butanediamide;(2S)-N'-tert-butyl-N-[1-(4-fluoro-1H-benzimidazol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylamino]pentanediamide;(2S,3R)-N-[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[3-(4-fluorophenyl)propanoylamino]-3-hydroxybutanamide;(2S,3R)-3-hydroxy-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-2-[(4-methylphenyl)sulfonylamino]butanamide
N-[(3S,6R)-6-(1,3-benzothiazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;(2S)-N'-tert-butyl-N-[1-(4-fluoro-1H-benzimidazol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylamino]butanediamide;(2S)-N'-tert-butyl-N-[1-(4-fluoro-1H-benzimidazol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylamino]pentanediamide;(2S,3R)-N-[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[3-(4-fluorophenyl)propanoylamino]-3-hydroxybutanamide;(2S,3R)-3-hydroxy-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-2-[(4-methylphenyl)sulfonylamino]butanamide (PubChem CID 163603880) has the molecular formula C155H179F9N24O22S4
and a molecular weight of 3029.53 g/mol. Its IUPAC name is N-[(3S,6R)-6-(1,3-benzothiazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;(2S)-N'-tert-butyl-N-[1-(4-fluoro-1H-benzimidazol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylamino]butanediamide;(2S)-N'-tert-butyl-N-[1-(4-fluoro-1H-benzimidazol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylamino]pentanediamide;(2S,3R)-N-[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[3-(4-fluorophenyl)propanoylamino]-3-hydroxybutanamide;(2S,3R)-3-hydroxy-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-2-[(4-methylphenyl)sulfonylamino]butanamide.
Frequently Asked Questions
What is the IUPAC name of N-[(3S,6R)-6-(1,3-benzothiazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;(2S)-N'-tert-butyl-N-[1-(4-fluoro-1H-benzimidazol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylamino]butanediamide;(2S)-N'-tert-butyl-N-[1-(4-fluoro-1H-benzimidazol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylamino]pentanediamide;(2S,3R)-N-[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[3-(4-fluorophenyl)propanoylamino]-3-hydroxybutanamide;(2S,3R)-3-hydroxy-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-2-[(4-methylphenyl)sulfonylamino]butanamide?
The IUPAC name of N-[(3S,6R)-6-(1,3-benzothiazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;(2S)-N'-tert-butyl-N-[1-(4-fluoro-1H-benzimidazol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylamino]butanediamide;(2S)-N'-tert-butyl-N-[1-(4-fluoro-1H-benzimidazol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylamino]pentanediamide;(2S,3R)-N-[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[3-(4-fluorophenyl)propanoylamino]-3-hydroxybutanamide;(2S,3R)-3-hydroxy-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-2-[(4-methylphenyl)sulfonylamino]butanamide (CID 163603880) is N-[(3S,6R)-6-(1,3-benzothiazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;(2S)-N'-tert-butyl-N-[1-(4-fluoro-1H-benzimidazol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylamino]butanediamide;(2S)-N'-tert-butyl-N-[1-(4-fluoro-1H-benzimidazol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylamino]pentanediamide;(2S,3R)-N-[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[3-(4-fluorophenyl)propanoylamino]-3-hydroxybutanamide;(2S,3R)-3-hydroxy-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-2-[(4-methylphenyl)sulfonylamino]butanamide.
What is the SMILES notation for N-[(3S,6R)-6-(1,3-benzothiazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;(2S)-N'-tert-butyl-N-[1-(4-fluoro-1H-benzimidazol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylamino]butanediamide;(2S)-N'-tert-butyl-N-[1-(4-fluoro-1H-benzimidazol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylamino]pentanediamide;(2S,3R)-N-[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[3-(4-fluorophenyl)propanoylamino]-3-hydroxybutanamide;(2S,3R)-3-hydroxy-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-2-[(4-methylphenyl)sulfonylamino]butanamide?
The canonical SMILES for N-[(3S,6R)-6-(1,3-benzothiazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;(2S)-N'-tert-butyl-N-[1-(4-fluoro-1H-benzimidazol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylamino]butanediamide;(2S)-N'-tert-butyl-N-[1-(4-fluoro-1H-benzimidazol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylamino]pentanediamide;(2S,3R)-N-[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[3-(4-fluorophenyl)propanoylamino]-3-hydroxybutanamide;(2S,3R)-3-hydroxy-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-2-[(4-methylphenyl)sulfonylamino]butanamide is C[C@H](CC(=O)[C@H](CC(=O)N1CCC[C@@H]1c1ccccc1)NC(=O)C1CC2(C1)CC(F)(F)C2)c1nc2ccccc2o1.C[C@H](CC(=O)[C@H](CC(=O)N1CCC[C@@H]1c1ccccc1)NC(=O)CCCC(F)(F)F)c1nc2ccccc2s1.C[C@H](NC(=O)[C@@H](NC(=O)CCc1ccc(F)cc1)[C@@H](C)O)c1nc2c(F)cccc2[nH]1.Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NC2(c3nc4c(F)cccc4[nH]3)CC2)cc1.Cc1ccc(S(=O)(=O)N[C@@H](CCC(=O)NC(C)(C)C)C(=O)NC2(c3nc4c(F)cccc4[nH]3)CC2)cc1.Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@@H](C)c2nc3c(C)cccc3[nH]2)[C@@H](C)O)cc1.
What is the InChIKey of N-[(3S,6R)-6-(1,3-benzothiazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;(2S)-N'-tert-butyl-N-[1-(4-fluoro-1H-benzimidazol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylamino]butanediamide;(2S)-N'-tert-butyl-N-[1-(4-fluoro-1H-benzimidazol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylamino]pentanediamide;(2S,3R)-N-[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[3-(4-fluorophenyl)propanoylamino]-3-hydroxybutanamide;(2S,3R)-3-hydroxy-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-2-[(4-methylphenyl)sulfonylamino]butanamide?
The InChIKey is HABYSSQGEMYZAM-VABDDOAWSA-N. The full InChI is InChI=1S/C32H35F2N3O4.C29H32F3N3O3S.C26H32FN5O4S.C25H30FN5O4S.C22H24F2N4O3.C21H26N4O4S/c1-20(30-36-23-10-5-6-12-27(23)41-30)14-26(38)24(35-29(40)22-16-31(17-22)18-32(33,34)19-31)15-28(39)37-13-7-11-25(37)21-8-3-2-4-9-21;1-19(28-34-21-11-5-6-13-25(21)39-28)17-24(36)22(33-26(37)14-7-15-29(30,31)32)18-27(38)35-16-8-12-23(35)20-9-3-2-4-10-20;1-16-8-10-17(11-9-16)37(35,36)32-20(12-13-21(33)30-25(2,3)4)23(34)31-26(14-15-26)24-28-19-7-5-6-18(27)22(19)29-24;1-15-8-10-16(11-9-15)36(34,35)31-19(14-20(32)29-24(2,3)4)22(33)30-25(12-13-25)23-27-18-7-5-6-17(26)21(18)28-23;1-12(21-26-17-5-3-4-16(24)20(17)28-21)25-22(31)19(13(2)29)27-18(30)11-8-14-6-9-15(23)10-7-14;1-12-8-10-16(11-9-12)30(28,29)25-19(15(4)26)21(27)22-14(3)20-23-17-7-5-6-13(2)18(17)24-20/h2-6,8-10,12,20,22,24-25H,7,11,13-19H2,1H3,(H,35,40);2-6,9-11,13,19,22-23H,7-8,12,14-18H2,1H3,(H,33,37);5-11,20,32H,12-15H2,1-4H3,(H,28,29)(H,30,33)(H,31,34);5-11,19,31H,12-14H2,1-4H3,(H,27,28)(H,29,32)(H,30,33);3-7,9-10,12-13,19,29H,8,11H2,1-2H3,(H,25,31)(H,26,28)(H,27,30);5-11,14-15,19,25-26H,1-4H3,(H,22,27)(H,23,24)/t20-,24+,25-;19-,22+,23-;20-;19-;12-,13+,19-;14-,15+,19-/m110000/s1.
What are the key properties of N-[(3S,6R)-6-(1,3-benzothiazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;(2S)-N'-tert-butyl-N-[1-(4-fluoro-1H-benzimidazol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylamino]butanediamide;(2S)-N'-tert-butyl-N-[1-(4-fluoro-1H-benzimidazol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylamino]pentanediamide;(2S,3R)-N-[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[3-(4-fluorophenyl)propanoylamino]-3-hydroxybutanamide;(2S,3R)-3-hydroxy-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-2-[(4-methylphenyl)sulfonylamino]butanamide?
N-[(3S,6R)-6-(1,3-benzothiazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;(2S)-N'-tert-butyl-N-[1-(4-fluoro-1H-benzimidazol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylamino]butanediamide;(2S)-N'-tert-butyl-N-[1-(4-fluoro-1H-benzimidazol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylamino]pentanediamide;(2S,3R)-N-[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[3-(4-fluorophenyl)propanoylamino]-3-hydroxybutanamide;(2S,3R)-3-hydroxy-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-2-[(4-methylphenyl)sulfonylamino]butanamide has a molecular weight of 3029.53 g/mol, XLogP of 22.81, 52 rotatable bonds, 18 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,6R)-6-(1,3-benzothiazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;(2S)-N'-tert-butyl-N-[1-(4-fluoro-1H-benzimidazol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylamino]butanediamide;(2S)-N'-tert-butyl-N-[1-(4-fluoro-1H-benzimidazol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylamino]pentanediamide;(2S,3R)-N-[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[3-(4-fluorophenyl)propanoylamino]-3-hydroxybutanamide;(2S,3R)-3-hydroxy-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-2-[(4-methylphenyl)sulfonylamino]butanamide is sourced from PubChem (CID 163603880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).