4-chloro-N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]pyridine-2-carboxamide;N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]-5-hydroxypyridine-2-carboxamide;N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]pyridine-2-carboxamide;6-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-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-[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;6-[[(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]-6-oxohexanoic acid;N-[6-[[(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]-6-oxohexyl]pyridine-2-carboxamide

C244H311ClF13N45O45 — CID 162205514

IUPAC4-chloro-N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]pyridine-2-carboxamide;N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]-5-hydroxypyridine-2-carboxamide;N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]pyridine-2-carboxamide;6-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-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-[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;6-[[(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]-6-oxohexanoic acid;N-[6-[[(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]-6-oxohexyl]pyridine-2-carboxamide
SMILESCC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CCCCC(=O)O)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(=O)O)C(C)C)C(=O)c1nnc(-c2ccc(F)cc2)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(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(F)cc2)o1.CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CCCCC(C)(C)NC(=O)c1ccccn1)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)c1ccccn1)C(C)C)C(=O)c1nnc(-c2ccc(F)cc2)o1.CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CCCCCNC(=O)c1ccccn1)C(C)C)C(=O)c1nnc(-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C38H48F3N7O6.C37H47ClFN7O6.C37H48FN7O7.C37H48FN7O6.C36H44F3N7O6.C30H38F3N5O7.C29H38FN5O7/c1-22(2)29(31(50)35-47-46-34(54-35)24-15-17-25(18-16-24)38(39,40)41)44-33(52)27-13-11-21-48(27)36(53)30(23(3)4)43-28(49)14-7-9-19-37(5,6)45-32(51)26-12-8-10-20-42-26;1-21(2)29(31(48)35-45-44-34(52-35)23-12-14-25(39)15-13-23)42-33(50)27-10-9-19-46(27)36(51)30(22(3)4)41-28(47)11-7-8-17-37(5,6)43-32(49)26-20-24(38)16-18-40-26;1-21(2)29(31(48)35-44-43-34(52-35)23-12-14-24(38)15-13-23)41-33(50)27-10-9-19-45(27)36(51)30(22(3)4)40-28(47)11-7-8-18-37(5,6)42-32(49)26-17-16-25(46)20-39-26;1-22(2)29(31(47)35-44-43-34(51-35)24-15-17-25(38)18-16-24)41-33(49)27-13-11-21-45(27)36(50)30(23(3)4)40-28(46)14-7-9-19-37(5,6)42-32(48)26-12-8-10-20-39-26;1-21(2)28(30(48)34-45-44-33(52-34)23-14-16-24(17-15-23)36(37,38)39)43-32(50)26-12-10-20-46(26)35(51)29(22(3)4)42-27(47)13-6-5-8-19-41-31(49)25-11-7-9-18-40-25;1-16(2)23(25(42)28-37-36-27(45-28)18-11-13-19(14-12-18)30(31,32)33)35-26(43)20-8-7-15-38(20)29(44)24(17(3)4)34-21(39)9-5-6-10-22(40)41;1-16(2)23(25(39)28-34-33-27(42-28)18-11-13-19(30)14-12-18)32-26(40)20-8-7-15-35(20)29(41)24(17(3)4)31-21(36)9-5-6-10-22(37)38/h8,10,12,15-18,20,22-23,27,29-30H,7,9,11,13-14,19,21H2,1-6H3,(H,43,49)(H,44,52)(H,45,51);12-16,18,20-22,27,29-30H,7-11,17,19H2,1-6H3,(H,41,47)(H,42,50)(H,43,49);12-17,20-22,27,29-30,46H,7-11,18-19H2,1-6H3,(H,40,47)(H,41,50)(H,42,49);8,10,12,15-18,20,22-23,27,29-30H,7,9,11,13-14,19,21H2,1-6H3,(H,40,46)(H,41,49)(H,42,48);7,9,11,14-18,21-22,26,28-29H,5-6,8,10,12-13,19-20H2,1-4H3,(H,41,49)(H,42,47)(H,43,50);11-14,16-17,20,23-24H,5-10,15H2,1-4H3,(H,34,39)(H,35,43)(H,40,41);11-14,16-17,20,23-24H,5-10,15H2,1-4H3,(H,31,36)(H,32,40)(H,37,38)/t4*27-,29-,30-;26-,28-,29-;2*20-,23-,24-/m0000000/s1
InChIKeyZSDGIHAOKBBEOS-FYLYPUJNSA-N
MW4876.87 g/mol
LogP30.65
Rot. Bonds108

About 4-chloro-N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]pyridine-2-carboxamide;N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]-5-hydroxypyridine-2-carboxamide;N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]pyridine-2-carboxamide;6-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-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-[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;6-[[(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]-6-oxohexanoic acid;N-[6-[[(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]-6-oxohexyl]pyridine-2-carboxamide

4-chloro-N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]pyridine-2-carboxamide;N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]-5-hydroxypyridine-2-carboxamide;N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]pyridine-2-carboxamide;6-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-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-[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;6-[[(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]-6-oxohexanoic acid;N-[6-[[(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]-6-oxohexyl]pyridine-2-carboxamide (PubChem CID 162205514) has the molecular formula C244H311ClF13N45O45 and a molecular weight of 4876.87 g/mol. Its IUPAC name is 4-chloro-N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]pyridine-2-carboxamide;N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]-5-hydroxypyridine-2-carboxamide;N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]pyridine-2-carboxamide;6-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-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-[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;6-[[(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]-6-oxohexanoic acid;N-[6-[[(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]-6-oxohexyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]pyridine-2-carboxamide;N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]-5-hydroxypyridine-2-carboxamide;N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]pyridine-2-carboxamide;6-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-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-[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;6-[[(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]-6-oxohexanoic acid;N-[6-[[(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]-6-oxohexyl]pyridine-2-carboxamide
PubChem CID162205514
Molecular FormulaC244H311ClF13N45O45
Molecular Weight4876.87 g/mol
Exact Mass4873.29
IUPAC Name4-chloro-N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]pyridine-2-carboxamide;N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]-5-hydroxypyridine-2-carboxamide;N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]pyridine-2-carboxamide;6-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-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-[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;6-[[(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]-6-oxohexanoic acid;N-[6-[[(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]-6-oxohexyl]pyridine-2-carboxamide
SMILESCC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CCCCC(=O)O)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(=O)O)C(C)C)C(=O)c1nnc(-c2ccc(F)cc2)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(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(F)cc2)o1.CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CCCCC(C)(C)NC(=O)c1ccccn1)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)c1ccccn1)C(C)C)C(=O)c1nnc(-c2ccc(F)cc2)o1.CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CCCCCNC(=O)c1ccccn1)C(C)C)C(=O)c1nnc(-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C38H48F3N7O6.C37H47ClFN7O6.C37H48FN7O7.C37H48FN7O6.C36H44F3N7O6.C30H38F3N5O7.C29H38FN5O7/c1-22(2)29(31(50)35-47-46-34(54-35)24-15-17-25(18-16-24)38(39,40)41)44-33(52)27-13-11-21-48(27)36(53)30(23(3)4)43-28(49)14-7-9-19-37(5,6)45-32(51)26-12-8-10-20-42-26;1-21(2)29(31(48)35-45-44-34(52-35)23-12-14-25(39)15-13-23)42-33(50)27-10-9-19-46(27)36(51)30(22(3)4)41-28(47)11-7-8-17-37(5,6)43-32(49)26-20-24(38)16-18-40-26;1-21(2)29(31(48)35-44-43-34(52-35)23-12-14-24(38)15-13-23)41-33(50)27-10-9-19-45(27)36(51)30(22(3)4)40-28(47)11-7-8-18-37(5,6)42-32(49)26-17-16-25(46)20-39-26;1-22(2)29(31(47)35-44-43-34(51-35)24-15-17-25(38)18-16-24)41-33(49)27-13-11-21-45(27)36(50)30(23(3)4)40-28(46)14-7-9-19-37(5,6)42-32(48)26-12-8-10-20-39-26;1-21(2)28(30(48)34-45-44-33(52-34)23-14-16-24(17-15-23)36(37,38)39)43-32(50)26-12-10-20-46(26)35(51)29(22(3)4)42-27(47)13-6-5-8-19-41-31(49)25-11-7-9-18-40-25;1-16(2)23(25(42)28-37-36-27(45-28)18-11-13-19(14-12-18)30(31,32)33)35-26(43)20-8-7-15-38(20)29(44)24(17(3)4)34-21(39)9-5-6-10-22(40)41;1-16(2)23(25(39)28-34-33-27(42-28)18-11-13-19(30)14-12-18)32-26(40)20-8-7-15-35(20)29(41)24(17(3)4)31-21(36)9-5-6-10-22(37)38/h8,10,12,15-18,20,22-23,27,29-30H,7,9,11,13-14,19,21H2,1-6H3,(H,43,49)(H,44,52)(H,45,51);12-16,18,20-22,27,29-30H,7-11,17,19H2,1-6H3,(H,41,47)(H,42,50)(H,43,49);12-17,20-22,27,29-30,46H,7-11,18-19H2,1-6H3,(H,40,47)(H,41,50)(H,42,49);8,10,12,15-18,20,22-23,27,29-30H,7,9,11,13-14,19,21H2,1-6H3,(H,40,46)(H,41,49)(H,42,48);7,9,11,14-18,21-22,26,28-29H,5-6,8,10,12-13,19-20H2,1-4H3,(H,41,49)(H,42,47)(H,43,50);11-14,16-17,20,23-24H,5-10,15H2,1-4H3,(H,34,39)(H,35,43)(H,40,41);11-14,16-17,20,23-24H,5-10,15H2,1-4H3,(H,31,36)(H,32,40)(H,37,38)/t4*27-,29-,30-;26-,28-,29-;2*20-,23-,24-/m0000000/s1
InChIKeyZSDGIHAOKBBEOS-FYLYPUJNSA-N
XLogP30.65
TPSA1246.28 Ų
H-Bond Donors22
H-Bond Acceptors62
Rotatable Bonds108
Heavy Atoms348
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004876.87
LogP ≤ 530.65
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1062

Analyze 4-chloro-N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]pyridine-2-carboxamide;N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]-5-hydroxypyridine-2-carboxamide;N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]pyridine-2-carboxamide;6-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-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-[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;6-[[(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]-6-oxohexanoic acid;N-[6-[[(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]-6-oxohexyl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]pyridine-2-carboxamide;N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]-5-hydroxypyridine-2-carboxamide;N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]pyridine-2-carboxamide;6-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-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-[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;6-[[(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]-6-oxohexanoic acid;N-[6-[[(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]-6-oxohexyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]pyridine-2-carboxamide;N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]-5-hydroxypyridine-2-carboxamide;N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]pyridine-2-carboxamide;6-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-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-[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;6-[[(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]-6-oxohexanoic acid;N-[6-[[(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]-6-oxohexyl]pyridine-2-carboxamide (CID 162205514) is 4-chloro-N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]pyridine-2-carboxamide;N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]-5-hydroxypyridine-2-carboxamide;N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]pyridine-2-carboxamide;6-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-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-[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;6-[[(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]-6-oxohexanoic acid;N-[6-[[(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]-6-oxohexyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]pyridine-2-carboxamide;N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]-5-hydroxypyridine-2-carboxamide;N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]pyridine-2-carboxamide;6-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-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-[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;6-[[(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]-6-oxohexanoic acid;N-[6-[[(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]-6-oxohexyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]pyridine-2-carboxamide;N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]-5-hydroxypyridine-2-carboxamide;N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]pyridine-2-carboxamide;6-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-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-[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;6-[[(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]-6-oxohexanoic acid;N-[6-[[(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]-6-oxohexyl]pyridine-2-carboxamide is CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CCCCC(=O)O)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(=O)O)C(C)C)C(=O)c1nnc(-c2ccc(F)cc2)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(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(F)cc2)o1.CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CCCCC(C)(C)NC(=O)c1ccccn1)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)c1ccccn1)C(C)C)C(=O)c1nnc(-c2ccc(F)cc2)o1.CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CCCCCNC(=O)c1ccccn1)C(C)C)C(=O)c1nnc(-c2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of 4-chloro-N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]pyridine-2-carboxamide;N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]-5-hydroxypyridine-2-carboxamide;N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]pyridine-2-carboxamide;6-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-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-[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;6-[[(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]-6-oxohexanoic acid;N-[6-[[(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]-6-oxohexyl]pyridine-2-carboxamide?
The InChIKey is ZSDGIHAOKBBEOS-FYLYPUJNSA-N. The full InChI is InChI=1S/C38H48F3N7O6.C37H47ClFN7O6.C37H48FN7O7.C37H48FN7O6.C36H44F3N7O6.C30H38F3N5O7.C29H38FN5O7/c1-22(2)29(31(50)35-47-46-34(54-35)24-15-17-25(18-16-24)38(39,40)41)44-33(52)27-13-11-21-48(27)36(53)30(23(3)4)43-28(49)14-7-9-19-37(5,6)45-32(51)26-12-8-10-20-42-26;1-21(2)29(31(48)35-45-44-34(52-35)23-12-14-25(39)15-13-23)42-33(50)27-10-9-19-46(27)36(51)30(22(3)4)41-28(47)11-7-8-17-37(5,6)43-32(49)26-20-24(38)16-18-40-26;1-21(2)29(31(48)35-44-43-34(52-35)23-12-14-24(38)15-13-23)41-33(50)27-10-9-19-45(27)36(51)30(22(3)4)40-28(47)11-7-8-18-37(5,6)42-32(49)26-17-16-25(46)20-39-26;1-22(2)29(31(47)35-44-43-34(51-35)24-15-17-25(38)18-16-24)41-33(49)27-13-11-21-45(27)36(50)30(23(3)4)40-28(46)14-7-9-19-37(5,6)42-32(48)26-12-8-10-20-39-26;1-21(2)28(30(48)34-45-44-33(52-34)23-14-16-24(17-15-23)36(37,38)39)43-32(50)26-12-10-20-46(26)35(51)29(22(3)4)42-27(47)13-6-5-8-19-41-31(49)25-11-7-9-18-40-25;1-16(2)23(25(42)28-37-36-27(45-28)18-11-13-19(14-12-18)30(31,32)33)35-26(43)20-8-7-15-38(20)29(44)24(17(3)4)34-21(39)9-5-6-10-22(40)41;1-16(2)23(25(39)28-34-33-27(42-28)18-11-13-19(30)14-12-18)32-26(40)20-8-7-15-35(20)29(41)24(17(3)4)31-21(36)9-5-6-10-22(37)38/h8,10,12,15-18,20,22-23,27,29-30H,7,9,11,13-14,19,21H2,1-6H3,(H,43,49)(H,44,52)(H,45,51);12-16,18,20-22,27,29-30H,7-11,17,19H2,1-6H3,(H,41,47)(H,42,50)(H,43,49);12-17,20-22,27,29-30,46H,7-11,18-19H2,1-6H3,(H,40,47)(H,41,50)(H,42,49);8,10,12,15-18,20,22-23,27,29-30H,7,9,11,13-14,19,21H2,1-6H3,(H,40,46)(H,41,49)(H,42,48);7,9,11,14-18,21-22,26,28-29H,5-6,8,10,12-13,19-20H2,1-4H3,(H,41,49)(H,42,47)(H,43,50);11-14,16-17,20,23-24H,5-10,15H2,1-4H3,(H,34,39)(H,35,43)(H,40,41);11-14,16-17,20,23-24H,5-10,15H2,1-4H3,(H,31,36)(H,32,40)(H,37,38)/t4*27-,29-,30-;26-,28-,29-;2*20-,23-,24-/m0000000/s1.
What are the key properties of 4-chloro-N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]pyridine-2-carboxamide;N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]-5-hydroxypyridine-2-carboxamide;N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]pyridine-2-carboxamide;6-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-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-[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;6-[[(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]-6-oxohexanoic acid;N-[6-[[(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]-6-oxohexyl]pyridine-2-carboxamide?
4-chloro-N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]pyridine-2-carboxamide;N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]-5-hydroxypyridine-2-carboxamide;N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]pyridine-2-carboxamide;6-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-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-[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;6-[[(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]-6-oxohexanoic acid;N-[6-[[(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]-6-oxohexyl]pyridine-2-carboxamide has a molecular weight of 4876.87 g/mol, XLogP of 30.65, 108 rotatable bonds, 22 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]pyridine-2-carboxamide;N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]-5-hydroxypyridine-2-carboxamide;N-[7-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-7-oxoheptan-2-yl]pyridine-2-carboxamide;6-[[(2S)-1-[(2S)-2-[[(2S)-1-[5-(4-fluorophenyl)-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-[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;6-[[(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]-6-oxohexanoic acid;N-[6-[[(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]-6-oxohexyl]pyridine-2-carboxamide is sourced from PubChem (CID 162205514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).