6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexanoic acid;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]-5-hydroxypyridine-2-carboxamide;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide;4-chloro-N-[2-methyl-7-[[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-7-oxoheptan-2-yl]pyridine-2-carboxamide;5-hydroxy-N-[2-methyl-7-[[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-7-oxoheptan-2-yl]pyridine-2-carboxamide;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1-hydroxy-2-methylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide;N-[6-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide

C230H325ClF9N45O45 — CID 162052644

IUPAC6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexanoic acid;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]-5-hydroxypyridine-2-carboxamide;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide;4-chloro-N-[2-methyl-7-[[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-7-oxoheptan-2-yl]pyridine-2-carboxamide;5-hydroxy-N-[2-methyl-7-[[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-7-oxoheptan-2-yl]pyridine-2-carboxamide;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1-hydroxy-2-methylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide;N-[6-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide
SMILESCC(C)[C@H](NC(=O)CCCCCNC(=O)c1ccccn1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C.CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CCCCC(=O)O)C(C)C)C(=O)c1nnc(C(C)(C)C)o1.CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CCCCC(C)(C)NC(=O)c1cc(Cl)ccn1)C(C)C)C(=O)c1nnc(-c2ccc(C(F)(F)F)cc2)o1.CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CCCCC(C)(C)NC(=O)c1ccc(O)cn1)C(C)C)C(=O)c1nnc(-c2ccc(C(F)(F)F)cc2)o1.CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CCCCCNC(=O)c1ccc(O)cn1)C(C)C)C(=O)c1nnc(C(C)(C)C)o1.CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CCCCCNC(=O)c1ccccn1)C(C)C)C(=O)c1nnc(C(C)(C)C)o1.CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CCCCCNC(=O)c1ccccn1)C(C)C)C(=O)c1nnc(C(C)(C)CO)o1
InChIInChI=1S/C38H47ClF3N7O6.C38H48F3N7O7.2C33H49N7O7.C33H49N7O6.C28H40F3N5O5.C27H43N5O7/c1-21(2)29(31(51)35-48-47-34(55-35)23-12-14-24(15-13-23)38(40,41)42)45-33(53)27-10-9-19-49(27)36(54)30(22(3)4)44-28(50)11-7-8-17-37(5,6)46-32(52)26-20-25(39)16-18-43-26;1-21(2)29(31(51)35-47-46-34(55-35)23-12-14-24(15-13-23)38(39,40)41)44-33(53)27-10-9-19-48(27)36(54)30(22(3)4)43-28(50)11-7-8-18-37(5,6)45-32(52)26-17-16-25(49)20-42-26;1-19(2)25(27(43)30-38-39-32(47-30)33(5,6)7)37-29(45)23-12-11-17-40(23)31(46)26(20(3)4)36-24(42)13-9-8-10-16-34-28(44)22-15-14-21(41)18-35-22;1-20(2)25(27(43)30-38-39-32(47-30)33(5,6)19-41)37-29(45)23-14-12-18-40(23)31(46)26(21(3)4)36-24(42)15-8-7-10-17-35-28(44)22-13-9-11-16-34-22;1-20(2)25(27(42)30-38-39-32(46-30)33(5,6)7)37-29(44)23-15-13-19-40(23)31(45)26(21(3)4)36-24(41)16-9-8-11-18-35-28(43)22-14-10-12-17-34-22;1-17(2)22(24(38)28(29,30)31)35-26(40)20-12-10-16-36(20)27(41)23(18(3)4)34-21(37)13-6-5-8-15-33-25(39)19-11-7-9-14-32-19;1-15(2)20(22(36)24-30-31-26(39-24)27(5,6)7)29-23(37)17-11-10-14-32(17)25(38)21(16(3)4)28-18(33)12-8-9-13-19(34)35/h12-16,18,20-22,27,29-30H,7-11,17,19H2,1-6H3,(H,44,50)(H,45,53)(H,46,52);12-17,20-22,27,29-30,49H,7-11,18-19H2,1-6H3,(H,43,50)(H,44,53)(H,45,52);14-15,18-20,23,25-26,41H,8-13,16-17H2,1-7H3,(H,34,44)(H,36,42)(H,37,45);9,11,13,16,20-21,23,25-26,41H,7-8,10,12,14-15,17-19H2,1-6H3,(H,35,44)(H,36,42)(H,37,45);10,12,14,17,20-21,23,25-26H,8-9,11,13,15-16,18-19H2,1-7H3,(H,35,43)(H,36,41)(H,37,44);7,9,11,14,17-18,20,22-23H,5-6,8,10,12-13,15-16H2,1-4H3,(H,33,39)(H,34,37)(H,35,40);15-17,20-21H,8-14H2,1-7H3,(H,28,33)(H,29,37)(H,34,35)/t2*27-,29-,30-;3*23-,25-,26-;20-,22-,23-;17-,20-,21-/m0000000/s1
InChIKeyYYTBRAKJQQCRMG-JVEAYENXSA-N
MW4646.84 g/mol
LogP24.65
Rot. Bonds106

About 6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexanoic acid;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]-5-hydroxypyridine-2-carboxamide;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide;4-chloro-N-[2-methyl-7-[[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-7-oxoheptan-2-yl]pyridine-2-carboxamide;5-hydroxy-N-[2-methyl-7-[[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-7-oxoheptan-2-yl]pyridine-2-carboxamide;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1-hydroxy-2-methylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide;N-[6-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide

6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexanoic acid;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]-5-hydroxypyridine-2-carboxamide;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide;4-chloro-N-[2-methyl-7-[[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-7-oxoheptan-2-yl]pyridine-2-carboxamide;5-hydroxy-N-[2-methyl-7-[[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-7-oxoheptan-2-yl]pyridine-2-carboxamide;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1-hydroxy-2-methylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide;N-[6-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide (PubChem CID 162052644) has the molecular formula C230H325ClF9N45O45 and a molecular weight of 4646.84 g/mol. Its IUPAC name is 6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexanoic acid;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]-5-hydroxypyridine-2-carboxamide;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide;4-chloro-N-[2-methyl-7-[[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-7-oxoheptan-2-yl]pyridine-2-carboxamide;5-hydroxy-N-[2-methyl-7-[[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-7-oxoheptan-2-yl]pyridine-2-carboxamide;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1-hydroxy-2-methylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide;N-[6-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexanoic acid;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]-5-hydroxypyridine-2-carboxamide;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide;4-chloro-N-[2-methyl-7-[[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-7-oxoheptan-2-yl]pyridine-2-carboxamide;5-hydroxy-N-[2-methyl-7-[[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-7-oxoheptan-2-yl]pyridine-2-carboxamide;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1-hydroxy-2-methylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide;N-[6-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide
PubChem CID162052644
Molecular FormulaC230H325ClF9N45O45
Molecular Weight4646.84 g/mol
Exact Mass4643.41
IUPAC Name6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexanoic acid;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]-5-hydroxypyridine-2-carboxamide;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide;4-chloro-N-[2-methyl-7-[[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-7-oxoheptan-2-yl]pyridine-2-carboxamide;5-hydroxy-N-[2-methyl-7-[[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-7-oxoheptan-2-yl]pyridine-2-carboxamide;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1-hydroxy-2-methylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide;N-[6-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide
SMILESCC(C)[C@H](NC(=O)CCCCCNC(=O)c1ccccn1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C.CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CCCCC(=O)O)C(C)C)C(=O)c1nnc(C(C)(C)C)o1.CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CCCCC(C)(C)NC(=O)c1cc(Cl)ccn1)C(C)C)C(=O)c1nnc(-c2ccc(C(F)(F)F)cc2)o1.CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CCCCC(C)(C)NC(=O)c1ccc(O)cn1)C(C)C)C(=O)c1nnc(-c2ccc(C(F)(F)F)cc2)o1.CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CCCCCNC(=O)c1ccc(O)cn1)C(C)C)C(=O)c1nnc(C(C)(C)C)o1.CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CCCCCNC(=O)c1ccccn1)C(C)C)C(=O)c1nnc(C(C)(C)C)o1.CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CCCCCNC(=O)c1ccccn1)C(C)C)C(=O)c1nnc(C(C)(C)CO)o1
InChIInChI=1S/C38H47ClF3N7O6.C38H48F3N7O7.2C33H49N7O7.C33H49N7O6.C28H40F3N5O5.C27H43N5O7/c1-21(2)29(31(51)35-48-47-34(55-35)23-12-14-24(15-13-23)38(40,41)42)45-33(53)27-10-9-19-49(27)36(54)30(22(3)4)44-28(50)11-7-8-17-37(5,6)46-32(52)26-20-25(39)16-18-43-26;1-21(2)29(31(51)35-47-46-34(55-35)23-12-14-24(15-13-23)38(39,40)41)44-33(53)27-10-9-19-48(27)36(54)30(22(3)4)43-28(50)11-7-8-18-37(5,6)45-32(52)26-17-16-25(49)20-42-26;1-19(2)25(27(43)30-38-39-32(47-30)33(5,6)7)37-29(45)23-12-11-17-40(23)31(46)26(20(3)4)36-24(42)13-9-8-10-16-34-28(44)22-15-14-21(41)18-35-22;1-20(2)25(27(43)30-38-39-32(47-30)33(5,6)19-41)37-29(45)23-14-12-18-40(23)31(46)26(21(3)4)36-24(42)15-8-7-10-17-35-28(44)22-13-9-11-16-34-22;1-20(2)25(27(42)30-38-39-32(46-30)33(5,6)7)37-29(44)23-15-13-19-40(23)31(45)26(21(3)4)36-24(41)16-9-8-11-18-35-28(43)22-14-10-12-17-34-22;1-17(2)22(24(38)28(29,30)31)35-26(40)20-12-10-16-36(20)27(41)23(18(3)4)34-21(37)13-6-5-8-15-33-25(39)19-11-7-9-14-32-19;1-15(2)20(22(36)24-30-31-26(39-24)27(5,6)7)29-23(37)17-11-10-14-32(17)25(38)21(16(3)4)28-18(33)12-8-9-13-19(34)35/h12-16,18,20-22,27,29-30H,7-11,17,19H2,1-6H3,(H,44,50)(H,45,53)(H,46,52);12-17,20-22,27,29-30,49H,7-11,18-19H2,1-6H3,(H,43,50)(H,44,53)(H,45,52);14-15,18-20,23,25-26,41H,8-13,16-17H2,1-7H3,(H,34,44)(H,36,42)(H,37,45);9,11,13,16,20-21,23,25-26,41H,7-8,10,12,14-15,17-19H2,1-6H3,(H,35,44)(H,36,42)(H,37,45);10,12,14,17,20-21,23,25-26H,8-9,11,13,15-16,18-19H2,1-7H3,(H,35,43)(H,36,41)(H,37,44);7,9,11,14,17-18,20,22-23H,5-6,8,10,12-13,15-16H2,1-4H3,(H,33,39)(H,34,37)(H,35,40);15-17,20-21H,8-14H2,1-7H3,(H,28,33)(H,29,37)(H,34,35)/t2*27-,29-,30-;3*23-,25-,26-;20-,22-,23-;17-,20-,21-/m0000000/s1
InChIKeyYYTBRAKJQQCRMG-JVEAYENXSA-N
XLogP24.65
TPSA1252.51 Ų
H-Bond Donors24
H-Bond Acceptors62
Rotatable Bonds106
Heavy Atoms330
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004646.84
LogP ≤ 524.65
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1062

Analyze 6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexanoic acid;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]-5-hydroxypyridine-2-carboxamide;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide;4-chloro-N-[2-methyl-7-[[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-7-oxoheptan-2-yl]pyridine-2-carboxamide;5-hydroxy-N-[2-methyl-7-[[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-7-oxoheptan-2-yl]pyridine-2-carboxamide;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1-hydroxy-2-methylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide;N-[6-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexanoic acid;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]-5-hydroxypyridine-2-carboxamide;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide;4-chloro-N-[2-methyl-7-[[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-7-oxoheptan-2-yl]pyridine-2-carboxamide;5-hydroxy-N-[2-methyl-7-[[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-7-oxoheptan-2-yl]pyridine-2-carboxamide;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1-hydroxy-2-methylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide;N-[6-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide?
The IUPAC name of 6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexanoic acid;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]-5-hydroxypyridine-2-carboxamide;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide;4-chloro-N-[2-methyl-7-[[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-7-oxoheptan-2-yl]pyridine-2-carboxamide;5-hydroxy-N-[2-methyl-7-[[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-7-oxoheptan-2-yl]pyridine-2-carboxamide;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1-hydroxy-2-methylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide;N-[6-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide (CID 162052644) is 6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexanoic acid;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]-5-hydroxypyridine-2-carboxamide;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide;4-chloro-N-[2-methyl-7-[[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-7-oxoheptan-2-yl]pyridine-2-carboxamide;5-hydroxy-N-[2-methyl-7-[[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-7-oxoheptan-2-yl]pyridine-2-carboxamide;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1-hydroxy-2-methylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide;N-[6-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexanoic acid;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]-5-hydroxypyridine-2-carboxamide;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide;4-chloro-N-[2-methyl-7-[[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-7-oxoheptan-2-yl]pyridine-2-carboxamide;5-hydroxy-N-[2-methyl-7-[[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-7-oxoheptan-2-yl]pyridine-2-carboxamide;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1-hydroxy-2-methylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide;N-[6-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexanoic acid;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]-5-hydroxypyridine-2-carboxamide;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide;4-chloro-N-[2-methyl-7-[[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-7-oxoheptan-2-yl]pyridine-2-carboxamide;5-hydroxy-N-[2-methyl-7-[[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-7-oxoheptan-2-yl]pyridine-2-carboxamide;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1-hydroxy-2-methylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide;N-[6-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide is CC(C)[C@H](NC(=O)CCCCCNC(=O)c1ccccn1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C.CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CCCCC(=O)O)C(C)C)C(=O)c1nnc(C(C)(C)C)o1.CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CCCCC(C)(C)NC(=O)c1cc(Cl)ccn1)C(C)C)C(=O)c1nnc(-c2ccc(C(F)(F)F)cc2)o1.CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CCCCC(C)(C)NC(=O)c1ccc(O)cn1)C(C)C)C(=O)c1nnc(-c2ccc(C(F)(F)F)cc2)o1.CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CCCCCNC(=O)c1ccc(O)cn1)C(C)C)C(=O)c1nnc(C(C)(C)C)o1.CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CCCCCNC(=O)c1ccccn1)C(C)C)C(=O)c1nnc(C(C)(C)C)o1.CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CCCCCNC(=O)c1ccccn1)C(C)C)C(=O)c1nnc(C(C)(C)CO)o1.
What is the InChIKey of 6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexanoic acid;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]-5-hydroxypyridine-2-carboxamide;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide;4-chloro-N-[2-methyl-7-[[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-7-oxoheptan-2-yl]pyridine-2-carboxamide;5-hydroxy-N-[2-methyl-7-[[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-7-oxoheptan-2-yl]pyridine-2-carboxamide;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1-hydroxy-2-methylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide;N-[6-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide?
The InChIKey is YYTBRAKJQQCRMG-JVEAYENXSA-N. The full InChI is InChI=1S/C38H47ClF3N7O6.C38H48F3N7O7.2C33H49N7O7.C33H49N7O6.C28H40F3N5O5.C27H43N5O7/c1-21(2)29(31(51)35-48-47-34(55-35)23-12-14-24(15-13-23)38(40,41)42)45-33(53)27-10-9-19-49(27)36(54)30(22(3)4)44-28(50)11-7-8-17-37(5,6)46-32(52)26-20-25(39)16-18-43-26;1-21(2)29(31(51)35-47-46-34(55-35)23-12-14-24(15-13-23)38(39,40)41)44-33(53)27-10-9-19-48(27)36(54)30(22(3)4)43-28(50)11-7-8-18-37(5,6)45-32(52)26-17-16-25(49)20-42-26;1-19(2)25(27(43)30-38-39-32(47-30)33(5,6)7)37-29(45)23-12-11-17-40(23)31(46)26(20(3)4)36-24(42)13-9-8-10-16-34-28(44)22-15-14-21(41)18-35-22;1-20(2)25(27(43)30-38-39-32(47-30)33(5,6)19-41)37-29(45)23-14-12-18-40(23)31(46)26(21(3)4)36-24(42)15-8-7-10-17-35-28(44)22-13-9-11-16-34-22;1-20(2)25(27(42)30-38-39-32(46-30)33(5,6)7)37-29(44)23-15-13-19-40(23)31(45)26(21(3)4)36-24(41)16-9-8-11-18-35-28(43)22-14-10-12-17-34-22;1-17(2)22(24(38)28(29,30)31)35-26(40)20-12-10-16-36(20)27(41)23(18(3)4)34-21(37)13-6-5-8-15-33-25(39)19-11-7-9-14-32-19;1-15(2)20(22(36)24-30-31-26(39-24)27(5,6)7)29-23(37)17-11-10-14-32(17)25(38)21(16(3)4)28-18(33)12-8-9-13-19(34)35/h12-16,18,20-22,27,29-30H,7-11,17,19H2,1-6H3,(H,44,50)(H,45,53)(H,46,52);12-17,20-22,27,29-30,49H,7-11,18-19H2,1-6H3,(H,43,50)(H,44,53)(H,45,52);14-15,18-20,23,25-26,41H,8-13,16-17H2,1-7H3,(H,34,44)(H,36,42)(H,37,45);9,11,13,16,20-21,23,25-26,41H,7-8,10,12,14-15,17-19H2,1-6H3,(H,35,44)(H,36,42)(H,37,45);10,12,14,17,20-21,23,25-26H,8-9,11,13,15-16,18-19H2,1-7H3,(H,35,43)(H,36,41)(H,37,44);7,9,11,14,17-18,20,22-23H,5-6,8,10,12-13,15-16H2,1-4H3,(H,33,39)(H,34,37)(H,35,40);15-17,20-21H,8-14H2,1-7H3,(H,28,33)(H,29,37)(H,34,35)/t2*27-,29-,30-;3*23-,25-,26-;20-,22-,23-;17-,20-,21-/m0000000/s1.
What are the key properties of 6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexanoic acid;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]-5-hydroxypyridine-2-carboxamide;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide;4-chloro-N-[2-methyl-7-[[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-7-oxoheptan-2-yl]pyridine-2-carboxamide;5-hydroxy-N-[2-methyl-7-[[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-7-oxoheptan-2-yl]pyridine-2-carboxamide;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1-hydroxy-2-methylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide;N-[6-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide?
6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexanoic acid;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]-5-hydroxypyridine-2-carboxamide;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide;4-chloro-N-[2-methyl-7-[[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-7-oxoheptan-2-yl]pyridine-2-carboxamide;5-hydroxy-N-[2-methyl-7-[[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-7-oxoheptan-2-yl]pyridine-2-carboxamide;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1-hydroxy-2-methylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide;N-[6-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide has a molecular weight of 4646.84 g/mol, XLogP of 24.65, 106 rotatable bonds, 24 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexanoic acid;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]-5-hydroxypyridine-2-carboxamide;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide;4-chloro-N-[2-methyl-7-[[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-7-oxoheptan-2-yl]pyridine-2-carboxamide;5-hydroxy-N-[2-methyl-7-[[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxo-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-7-oxoheptan-2-yl]pyridine-2-carboxamide;N-[6-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(1-hydroxy-2-methylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide;N-[6-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide is sourced from PubChem (CID 162052644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).