3-[4,5-bis(phenylmethoxy)-2-pyridinyl]-4-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazol-5-one;tert-butyl 2-[(Z)-[3-[(3S)-1-[2-[[3-[4,5-bis(phenylmethoxy)-2-pyridinyl]-4-[(2R)-2-hydroxypropyl]-5-oxo-1,2,4-triazol-1-yl]sulfonyl]acetyl]-2-oxoazetidin-3-yl]-1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-[(Z)-[3-[(3S)-1-[2-[[3-(5-hydroxy-4-oxo-1H-pyridin-2-yl)-4-[(2R)-2-hydroxypropyl]-5-oxo-1,2,4-triazol-1-yl]sulfonyl]acetyl]-2-oxoazetidin-3-yl]-1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-methyl-2-[(Z)-[1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxo-3-[(3S)-2-oxoazetidin-3-yl]propylidene]amino]oxypropanoate;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;trideca-1,3,5,7,9,11-hexayne

C249H175N21O39S5 — CID 172917704

IUPAC3-[4,5-bis(phenylmethoxy)-2-pyridinyl]-4-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazol-5-one;tert-butyl 2-[(Z)-[3-[(3S)-1-[2-[[3-[4,5-bis(phenylmethoxy)-2-pyridinyl]-4-[(2R)-2-hydroxypropyl]-5-oxo-1,2,4-triazol-1-yl]sulfonyl]acetyl]-2-oxoazetidin-3-yl]-1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-[(Z)-[3-[(3S)-1-[2-[[3-(5-hydroxy-4-oxo-1H-pyridin-2-yl)-4-[(2R)-2-hydroxypropyl]-5-oxo-1,2,4-triazol-1-yl]sulfonyl]acetyl]-2-oxoazetidin-3-yl]-1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-methyl-2-[(Z)-[1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxo-3-[(3S)-2-oxoazetidin-3-yl]propylidene]amino]oxypropanoate;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;trideca-1,3,5,7,9,11-hexayne
SMILESC#CC#CC#CC#CC#CC#CC.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC(C)(C)OC(=O)Cc1nc(/C(=N/OC(C)(C)C(=O)OC(C)(C)C)C(=O)C[C@H]2CNC2=O)cs1.C[C@@H](O)Cn1c(-c2cc(=O)c(O)c[nH]2)nn(S(=O)(=O)CC(=O)N2C[C@H](CC(=O)/C(=N\OC(C)(C)C(=O)OC(C)(C)C)c3csc(CC(=O)OC(C)(C)C)n3)C2=O)c1=O.C[C@@H](O)Cn1c(-c2cc(OCc3ccccc3)c(OCc3ccccc3)cn2)n[nH]c1=O.C[C@@H](O)Cn1c(-c2cc(OCc3ccccc3)c(OCc3ccccc3)cn2)nn(S(=O)(=O)CC(=O)N2C[C@H](CC(=O)/C(=N\OC(C)(C)C(=O)OC(C)(C)C)c3csc(CC(=O)OC(C)(C)C)n3)C2=O)c1=O
InChIInChI=1S/C49H57N7O14S2.C36H6.C35H45N7O14S2.C35H4.C34H2.C24H24N4O4.C23H33N3O7S.C13H4/c1-30(57)24-55-43(34-21-37(66-26-31-16-12-10-13-17-31)38(23-50-34)67-27-32-18-14-11-15-19-32)52-56(46(55)63)72(64,65)29-40(59)54-25-33(44(54)61)20-36(58)42(53-70-49(8,9)45(62)69-48(5,6)7)35-28-71-39(51-35)22-41(60)68-47(2,3)4;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-18(43)14-41-29(20-11-22(44)24(46)13-36-20)38-42(32(41)51)58(52,53)17-26(47)40-15-19(30(40)49)10-23(45)28(39-56-35(8,9)31(50)55-34(5,6)7)21-16-57-25(37-21)12-27(48)54-33(2,3)4;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-17(29)14-28-23(26-27-24(28)30)20-12-21(31-15-18-8-4-2-5-9-18)22(13-25-20)32-16-19-10-6-3-7-11-19;1-21(2,3)31-17(28)10-16-25-14(12-34-16)18(15(27)9-13-11-24-19(13)29)26-33-23(7,8)20(30)32-22(4,5)6;1-3-5-7-9-11-13-12-10-8-6-4-2/h10-19,21,23,28,30,33,57H,20,22,24-27,29H2,1-9H3;1-2H3;11,13,16,18-19,43,46H,10,12,14-15,17H2,1-9H3,(H,36,44);1H,2H3;1-2H;2-13,17,29H,14-16H2,1H3,(H,27,30);12-13H,9-11H2,1-8H3,(H,24,29);1H,2H3/b53-42-;;39-28-;;;;26-18-;/t30-,33+;;18-,19+;;;17-;13-;/m1.1..10./s1
InChIKeyJLUBUIXXZOEFJA-VQIGDRFJSA-N
MW4245.58 g/mol
LogP13.62
Rot. Bonds54

About 3-[4,5-bis(phenylmethoxy)-2-pyridinyl]-4-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazol-5-one;tert-butyl 2-[(Z)-[3-[(3S)-1-[2-[[3-[4,5-bis(phenylmethoxy)-2-pyridinyl]-4-[(2R)-2-hydroxypropyl]-5-oxo-1,2,4-triazol-1-yl]sulfonyl]acetyl]-2-oxoazetidin-3-yl]-1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-[(Z)-[3-[(3S)-1-[2-[[3-(5-hydroxy-4-oxo-1H-pyridin-2-yl)-4-[(2R)-2-hydroxypropyl]-5-oxo-1,2,4-triazol-1-yl]sulfonyl]acetyl]-2-oxoazetidin-3-yl]-1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-methyl-2-[(Z)-[1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxo-3-[(3S)-2-oxoazetidin-3-yl]propylidene]amino]oxypropanoate;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;trideca-1,3,5,7,9,11-hexayne

3-[4,5-bis(phenylmethoxy)-2-pyridinyl]-4-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazol-5-one;tert-butyl 2-[(Z)-[3-[(3S)-1-[2-[[3-[4,5-bis(phenylmethoxy)-2-pyridinyl]-4-[(2R)-2-hydroxypropyl]-5-oxo-1,2,4-triazol-1-yl]sulfonyl]acetyl]-2-oxoazetidin-3-yl]-1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-[(Z)-[3-[(3S)-1-[2-[[3-(5-hydroxy-4-oxo-1H-pyridin-2-yl)-4-[(2R)-2-hydroxypropyl]-5-oxo-1,2,4-triazol-1-yl]sulfonyl]acetyl]-2-oxoazetidin-3-yl]-1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-methyl-2-[(Z)-[1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxo-3-[(3S)-2-oxoazetidin-3-yl]propylidene]amino]oxypropanoate;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;trideca-1,3,5,7,9,11-hexayne (PubChem CID 172917704) has the molecular formula C249H175N21O39S5 and a molecular weight of 4245.58 g/mol. Its IUPAC name is 3-[4,5-bis(phenylmethoxy)-2-pyridinyl]-4-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazol-5-one;tert-butyl 2-[(Z)-[3-[(3S)-1-[2-[[3-[4,5-bis(phenylmethoxy)-2-pyridinyl]-4-[(2R)-2-hydroxypropyl]-5-oxo-1,2,4-triazol-1-yl]sulfonyl]acetyl]-2-oxoazetidin-3-yl]-1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-[(Z)-[3-[(3S)-1-[2-[[3-(5-hydroxy-4-oxo-1H-pyridin-2-yl)-4-[(2R)-2-hydroxypropyl]-5-oxo-1,2,4-triazol-1-yl]sulfonyl]acetyl]-2-oxoazetidin-3-yl]-1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-methyl-2-[(Z)-[1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxo-3-[(3S)-2-oxoazetidin-3-yl]propylidene]amino]oxypropanoate;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;trideca-1,3,5,7,9,11-hexayne.

Molecular Properties

Compound Name3-[4,5-bis(phenylmethoxy)-2-pyridinyl]-4-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazol-5-one;tert-butyl 2-[(Z)-[3-[(3S)-1-[2-[[3-[4,5-bis(phenylmethoxy)-2-pyridinyl]-4-[(2R)-2-hydroxypropyl]-5-oxo-1,2,4-triazol-1-yl]sulfonyl]acetyl]-2-oxoazetidin-3-yl]-1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-[(Z)-[3-[(3S)-1-[2-[[3-(5-hydroxy-4-oxo-1H-pyridin-2-yl)-4-[(2R)-2-hydroxypropyl]-5-oxo-1,2,4-triazol-1-yl]sulfonyl]acetyl]-2-oxoazetidin-3-yl]-1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-methyl-2-[(Z)-[1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxo-3-[(3S)-2-oxoazetidin-3-yl]propylidene]amino]oxypropanoate;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;trideca-1,3,5,7,9,11-hexayne
PubChem CID172917704
Molecular FormulaC249H175N21O39S5
Molecular Weight4245.58 g/mol
Exact Mass4242.10
IUPAC Name3-[4,5-bis(phenylmethoxy)-2-pyridinyl]-4-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazol-5-one;tert-butyl 2-[(Z)-[3-[(3S)-1-[2-[[3-[4,5-bis(phenylmethoxy)-2-pyridinyl]-4-[(2R)-2-hydroxypropyl]-5-oxo-1,2,4-triazol-1-yl]sulfonyl]acetyl]-2-oxoazetidin-3-yl]-1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-[(Z)-[3-[(3S)-1-[2-[[3-(5-hydroxy-4-oxo-1H-pyridin-2-yl)-4-[(2R)-2-hydroxypropyl]-5-oxo-1,2,4-triazol-1-yl]sulfonyl]acetyl]-2-oxoazetidin-3-yl]-1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-methyl-2-[(Z)-[1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxo-3-[(3S)-2-oxoazetidin-3-yl]propylidene]amino]oxypropanoate;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;trideca-1,3,5,7,9,11-hexayne
SMILESC#CC#CC#CC#CC#CC#CC.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC(C)(C)OC(=O)Cc1nc(/C(=N/OC(C)(C)C(=O)OC(C)(C)C)C(=O)C[C@H]2CNC2=O)cs1.C[C@@H](O)Cn1c(-c2cc(=O)c(O)c[nH]2)nn(S(=O)(=O)CC(=O)N2C[C@H](CC(=O)/C(=N\OC(C)(C)C(=O)OC(C)(C)C)c3csc(CC(=O)OC(C)(C)C)n3)C2=O)c1=O.C[C@@H](O)Cn1c(-c2cc(OCc3ccccc3)c(OCc3ccccc3)cn2)n[nH]c1=O.C[C@@H](O)Cn1c(-c2cc(OCc3ccccc3)c(OCc3ccccc3)cn2)nn(S(=O)(=O)CC(=O)N2C[C@H](CC(=O)/C(=N\OC(C)(C)C(=O)OC(C)(C)C)c3csc(CC(=O)OC(C)(C)C)n3)C2=O)c1=O
InChIInChI=1S/C49H57N7O14S2.C36H6.C35H45N7O14S2.C35H4.C34H2.C24H24N4O4.C23H33N3O7S.C13H4/c1-30(57)24-55-43(34-21-37(66-26-31-16-12-10-13-17-31)38(23-50-34)67-27-32-18-14-11-15-19-32)52-56(46(55)63)72(64,65)29-40(59)54-25-33(44(54)61)20-36(58)42(53-70-49(8,9)45(62)69-48(5,6)7)35-28-71-39(51-35)22-41(60)68-47(2,3)4;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-18(43)14-41-29(20-11-22(44)24(46)13-36-20)38-42(32(41)51)58(52,53)17-26(47)40-15-19(30(40)49)10-23(45)28(39-56-35(8,9)31(50)55-34(5,6)7)21-16-57-25(37-21)12-27(48)54-33(2,3)4;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-17(29)14-28-23(26-27-24(28)30)20-12-21(31-15-18-8-4-2-5-9-18)22(13-25-20)32-16-19-10-6-3-7-11-19;1-21(2,3)31-17(28)10-16-25-14(12-34-16)18(15(27)9-13-11-24-19(13)29)26-33-23(7,8)20(30)32-22(4,5)6;1-3-5-7-9-11-13-12-10-8-6-4-2/h10-19,21,23,28,30,33,57H,20,22,24-27,29H2,1-9H3;1-2H3;11,13,16,18-19,43,46H,10,12,14-15,17H2,1-9H3,(H,36,44);1H,2H3;1-2H;2-13,17,29H,14-16H2,1H3,(H,27,30);12-13H,9-11H2,1-8H3,(H,24,29);1H,2H3/b53-42-;;39-28-;;;;26-18-;/t30-,33+;;18-,19+;;;17-;13-;/m1.1..10./s1
InChIKeyJLUBUIXXZOEFJA-VQIGDRFJSA-N
XLogP13.62
TPSA791.39 Ų
H-Bond Donors7
H-Bond Acceptors58
Rotatable Bonds54
Heavy Atoms314
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004245.58
LogP ≤ 513.62
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1058

Analyze 3-[4,5-bis(phenylmethoxy)-2-pyridinyl]-4-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazol-5-one;tert-butyl 2-[(Z)-[3-[(3S)-1-[2-[[3-[4,5-bis(phenylmethoxy)-2-pyridinyl]-4-[(2R)-2-hydroxypropyl]-5-oxo-1,2,4-triazol-1-yl]sulfonyl]acetyl]-2-oxoazetidin-3-yl]-1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-[(Z)-[3-[(3S)-1-[2-[[3-(5-hydroxy-4-oxo-1H-pyridin-2-yl)-4-[(2R)-2-hydroxypropyl]-5-oxo-1,2,4-triazol-1-yl]sulfonyl]acetyl]-2-oxoazetidin-3-yl]-1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-methyl-2-[(Z)-[1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxo-3-[(3S)-2-oxoazetidin-3-yl]propylidene]amino]oxypropanoate;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;trideca-1,3,5,7,9,11-hexayne with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-[(Z)-[3-[(3S)-1-[2-[[4-[(2S)-2,3-dihydroxypropyl]-3-(5-hydroxy-4-oxo-1H-pyridin-2-yl)-5-oxo-1,2,4-triazol-1-yl]sulfonyl]acetyl]-2-oxoazetidin-3-yl]-1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoate
CID 172921569
tert-butyl 2-[(Z)-[2-[[(3S)-1-[[3-[4,5-bis(phenylmethoxy)-2-pyridinyl]-4-[(2R)-2-hydroxypropyl]-5-oxo-1,2,4-triazol-1-yl]sulfonylcarbamoyl]-2-oxoazetidin-3-yl]amino]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxy-2-methylpropanoate
CID 59374387
2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-3-[(2S,3S)-2-[[2-(5-hydroxy-4-oxo-1H-pyridin-2-yl)pyrimidine-4-carbonyl]oxymethyl]-4-oxo-1-sulfoazetidin-3-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoic acid;heptatriacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135-octahexacontayne;hexahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65-tritriacontayne;hexatriacontahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106,108,110,112,114,116,118,120,122,124,126,128,130,132,134-heptahexacontayne;hexa-1,3,5-triyne;[(2S,3S)-3-[(3Z)-3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxopropyl]-4-oxoazetidin-2-yl]methyl 2-[4,5-bis(phenylmethoxy)-2-pyridinyl]pyrimidine-4-carboxylate
CID 172928802
2-[[1-(2-amino-1,3-thiazol-4-yl)-2-[[(3S)-1-[[3-(5-hydroxy-4-oxo-1H-pyridin-2-yl)-4-[2-(3-methylphenyl)ethyl]-5-oxo-1,2,4-triazol-1-yl]sulfonylcarbamoyl]-2-oxoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid
CID 136656110
disodium;2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(3S)-1-[N-[[4-[(2S)-2,3-dihydroxypropyl]-3-(5-hydroxy-4-oxo-1H-pyridin-2-yl)-5-oxo-1,2,4-triazol-1-yl]sulfonyl]-C-oxidocarbonimidoyl]-2-oxoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoate
CID 172923071
tert-butyl 2-[(Z)-[3-[(2S,3S)-2-[[[1-[[4,5-bis(phenylmethoxy)-2-pyridinyl]methyl]azetidine-3-carbonyl]amino]methyl]-4-oxoazetidin-3-yl]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoate
CID 172932347
tert-butyl 2-[(Z)-[3-[(2S,3S)-2-[[[2-[4,5-bis(phenylmethoxy)-2-pyridinyl]-1,3-oxazole-4-carbonyl]amino]methyl]-4-oxoazetidin-3-yl]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoate
CID 172935990
2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(3S)-1-[[4-(3,3-dimethylbutyl)-3-(5-hydroxy-4-oxo-1H-pyridin-2-yl)-5-oxo-1,2,4-triazol-1-yl]sulfonylcarbamoyl]-2-oxoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid
CID 135890072
2-[[1-(2-amino-1,3-thiazol-4-yl)-2-[[(3S)-1-[[4-ethyl-3-(5-hydroxy-4-oxo-1H-pyridin-2-yl)-5-oxo-1,2,4-triazol-1-yl]sulfonylcarbamoyl]-2-oxoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid
CID 136646976
2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(3S)-1-[[3-(5-hydroxy-4-oxo-1H-pyridin-2-yl)-5-oxo-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-1-yl]sulfonylcarbamoyl]-2-oxoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid
CID 135890071
2-[[2-[[(3S)-1-[[4-(2-amino-2-oxoethyl)-3-(5-hydroxy-4-oxo-1H-pyridin-2-yl)-5-oxo-1,2,4-triazol-1-yl]sulfonylcarbamoyl]-2-oxoazetidin-3-yl]amino]-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino]oxy-2-methylpropanoic acid
CID 136653027
disodium;2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(3S)-1-[N-[[3-(5-hydroxy-4-oxo-1H-pyridin-2-yl)-4-(3-hydroxypropyl)-5-oxo-1,2,4-triazol-1-yl]sulfonyl]-C-oxidocarbonimidoyl]-2-oxoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoate
CID 172923076

Frequently Asked Questions

What is the IUPAC name of 3-[4,5-bis(phenylmethoxy)-2-pyridinyl]-4-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazol-5-one;tert-butyl 2-[(Z)-[3-[(3S)-1-[2-[[3-[4,5-bis(phenylmethoxy)-2-pyridinyl]-4-[(2R)-2-hydroxypropyl]-5-oxo-1,2,4-triazol-1-yl]sulfonyl]acetyl]-2-oxoazetidin-3-yl]-1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-[(Z)-[3-[(3S)-1-[2-[[3-(5-hydroxy-4-oxo-1H-pyridin-2-yl)-4-[(2R)-2-hydroxypropyl]-5-oxo-1,2,4-triazol-1-yl]sulfonyl]acetyl]-2-oxoazetidin-3-yl]-1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-methyl-2-[(Z)-[1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxo-3-[(3S)-2-oxoazetidin-3-yl]propylidene]amino]oxypropanoate;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;trideca-1,3,5,7,9,11-hexayne?
The IUPAC name of 3-[4,5-bis(phenylmethoxy)-2-pyridinyl]-4-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazol-5-one;tert-butyl 2-[(Z)-[3-[(3S)-1-[2-[[3-[4,5-bis(phenylmethoxy)-2-pyridinyl]-4-[(2R)-2-hydroxypropyl]-5-oxo-1,2,4-triazol-1-yl]sulfonyl]acetyl]-2-oxoazetidin-3-yl]-1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-[(Z)-[3-[(3S)-1-[2-[[3-(5-hydroxy-4-oxo-1H-pyridin-2-yl)-4-[(2R)-2-hydroxypropyl]-5-oxo-1,2,4-triazol-1-yl]sulfonyl]acetyl]-2-oxoazetidin-3-yl]-1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-methyl-2-[(Z)-[1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxo-3-[(3S)-2-oxoazetidin-3-yl]propylidene]amino]oxypropanoate;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;trideca-1,3,5,7,9,11-hexayne (CID 172917704) is 3-[4,5-bis(phenylmethoxy)-2-pyridinyl]-4-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazol-5-one;tert-butyl 2-[(Z)-[3-[(3S)-1-[2-[[3-[4,5-bis(phenylmethoxy)-2-pyridinyl]-4-[(2R)-2-hydroxypropyl]-5-oxo-1,2,4-triazol-1-yl]sulfonyl]acetyl]-2-oxoazetidin-3-yl]-1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-[(Z)-[3-[(3S)-1-[2-[[3-(5-hydroxy-4-oxo-1H-pyridin-2-yl)-4-[(2R)-2-hydroxypropyl]-5-oxo-1,2,4-triazol-1-yl]sulfonyl]acetyl]-2-oxoazetidin-3-yl]-1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-methyl-2-[(Z)-[1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxo-3-[(3S)-2-oxoazetidin-3-yl]propylidene]amino]oxypropanoate;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;trideca-1,3,5,7,9,11-hexayne.
What is the SMILES notation for 3-[4,5-bis(phenylmethoxy)-2-pyridinyl]-4-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazol-5-one;tert-butyl 2-[(Z)-[3-[(3S)-1-[2-[[3-[4,5-bis(phenylmethoxy)-2-pyridinyl]-4-[(2R)-2-hydroxypropyl]-5-oxo-1,2,4-triazol-1-yl]sulfonyl]acetyl]-2-oxoazetidin-3-yl]-1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-[(Z)-[3-[(3S)-1-[2-[[3-(5-hydroxy-4-oxo-1H-pyridin-2-yl)-4-[(2R)-2-hydroxypropyl]-5-oxo-1,2,4-triazol-1-yl]sulfonyl]acetyl]-2-oxoazetidin-3-yl]-1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-methyl-2-[(Z)-[1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxo-3-[(3S)-2-oxoazetidin-3-yl]propylidene]amino]oxypropanoate;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;trideca-1,3,5,7,9,11-hexayne?
The canonical SMILES for 3-[4,5-bis(phenylmethoxy)-2-pyridinyl]-4-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazol-5-one;tert-butyl 2-[(Z)-[3-[(3S)-1-[2-[[3-[4,5-bis(phenylmethoxy)-2-pyridinyl]-4-[(2R)-2-hydroxypropyl]-5-oxo-1,2,4-triazol-1-yl]sulfonyl]acetyl]-2-oxoazetidin-3-yl]-1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-[(Z)-[3-[(3S)-1-[2-[[3-(5-hydroxy-4-oxo-1H-pyridin-2-yl)-4-[(2R)-2-hydroxypropyl]-5-oxo-1,2,4-triazol-1-yl]sulfonyl]acetyl]-2-oxoazetidin-3-yl]-1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-methyl-2-[(Z)-[1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxo-3-[(3S)-2-oxoazetidin-3-yl]propylidene]amino]oxypropanoate;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;trideca-1,3,5,7,9,11-hexayne is C#CC#CC#CC#CC#CC#CC.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC(C)(C)OC(=O)Cc1nc(/C(=N/OC(C)(C)C(=O)OC(C)(C)C)C(=O)C[C@H]2CNC2=O)cs1.C[C@@H](O)Cn1c(-c2cc(=O)c(O)c[nH]2)nn(S(=O)(=O)CC(=O)N2C[C@H](CC(=O)/C(=N\OC(C)(C)C(=O)OC(C)(C)C)c3csc(CC(=O)OC(C)(C)C)n3)C2=O)c1=O.C[C@@H](O)Cn1c(-c2cc(OCc3ccccc3)c(OCc3ccccc3)cn2)n[nH]c1=O.C[C@@H](O)Cn1c(-c2cc(OCc3ccccc3)c(OCc3ccccc3)cn2)nn(S(=O)(=O)CC(=O)N2C[C@H](CC(=O)/C(=N\OC(C)(C)C(=O)OC(C)(C)C)c3csc(CC(=O)OC(C)(C)C)n3)C2=O)c1=O.
What is the InChIKey of 3-[4,5-bis(phenylmethoxy)-2-pyridinyl]-4-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazol-5-one;tert-butyl 2-[(Z)-[3-[(3S)-1-[2-[[3-[4,5-bis(phenylmethoxy)-2-pyridinyl]-4-[(2R)-2-hydroxypropyl]-5-oxo-1,2,4-triazol-1-yl]sulfonyl]acetyl]-2-oxoazetidin-3-yl]-1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-[(Z)-[3-[(3S)-1-[2-[[3-(5-hydroxy-4-oxo-1H-pyridin-2-yl)-4-[(2R)-2-hydroxypropyl]-5-oxo-1,2,4-triazol-1-yl]sulfonyl]acetyl]-2-oxoazetidin-3-yl]-1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-methyl-2-[(Z)-[1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxo-3-[(3S)-2-oxoazetidin-3-yl]propylidene]amino]oxypropanoate;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;trideca-1,3,5,7,9,11-hexayne?
The InChIKey is JLUBUIXXZOEFJA-VQIGDRFJSA-N. The full InChI is InChI=1S/C49H57N7O14S2.C36H6.C35H45N7O14S2.C35H4.C34H2.C24H24N4O4.C23H33N3O7S.C13H4/c1-30(57)24-55-43(34-21-37(66-26-31-16-12-10-13-17-31)38(23-50-34)67-27-32-18-14-11-15-19-32)52-56(46(55)63)72(64,65)29-40(59)54-25-33(44(54)61)20-36(58)42(53-70-49(8,9)45(62)69-48(5,6)7)35-28-71-39(51-35)22-41(60)68-47(2,3)4;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-18(43)14-41-29(20-11-22(44)24(46)13-36-20)38-42(32(41)51)58(52,53)17-26(47)40-15-19(30(40)49)10-23(45)28(39-56-35(8,9)31(50)55-34(5,6)7)21-16-57-25(37-21)12-27(48)54-33(2,3)4;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-17(29)14-28-23(26-27-24(28)30)20-12-21(31-15-18-8-4-2-5-9-18)22(13-25-20)32-16-19-10-6-3-7-11-19;1-21(2,3)31-17(28)10-16-25-14(12-34-16)18(15(27)9-13-11-24-19(13)29)26-33-23(7,8)20(30)32-22(4,5)6;1-3-5-7-9-11-13-12-10-8-6-4-2/h10-19,21,23,28,30,33,57H,20,22,24-27,29H2,1-9H3;1-2H3;11,13,16,18-19,43,46H,10,12,14-15,17H2,1-9H3,(H,36,44);1H,2H3;1-2H;2-13,17,29H,14-16H2,1H3,(H,27,30);12-13H,9-11H2,1-8H3,(H,24,29);1H,2H3/b53-42-;;39-28-;;;;26-18-;/t30-,33+;;18-,19+;;;17-;13-;/m1.1..10./s1.
What are the key properties of 3-[4,5-bis(phenylmethoxy)-2-pyridinyl]-4-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazol-5-one;tert-butyl 2-[(Z)-[3-[(3S)-1-[2-[[3-[4,5-bis(phenylmethoxy)-2-pyridinyl]-4-[(2R)-2-hydroxypropyl]-5-oxo-1,2,4-triazol-1-yl]sulfonyl]acetyl]-2-oxoazetidin-3-yl]-1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-[(Z)-[3-[(3S)-1-[2-[[3-(5-hydroxy-4-oxo-1H-pyridin-2-yl)-4-[(2R)-2-hydroxypropyl]-5-oxo-1,2,4-triazol-1-yl]sulfonyl]acetyl]-2-oxoazetidin-3-yl]-1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-methyl-2-[(Z)-[1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxo-3-[(3S)-2-oxoazetidin-3-yl]propylidene]amino]oxypropanoate;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;trideca-1,3,5,7,9,11-hexayne?
3-[4,5-bis(phenylmethoxy)-2-pyridinyl]-4-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazol-5-one;tert-butyl 2-[(Z)-[3-[(3S)-1-[2-[[3-[4,5-bis(phenylmethoxy)-2-pyridinyl]-4-[(2R)-2-hydroxypropyl]-5-oxo-1,2,4-triazol-1-yl]sulfonyl]acetyl]-2-oxoazetidin-3-yl]-1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-[(Z)-[3-[(3S)-1-[2-[[3-(5-hydroxy-4-oxo-1H-pyridin-2-yl)-4-[(2R)-2-hydroxypropyl]-5-oxo-1,2,4-triazol-1-yl]sulfonyl]acetyl]-2-oxoazetidin-3-yl]-1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-methyl-2-[(Z)-[1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxo-3-[(3S)-2-oxoazetidin-3-yl]propylidene]amino]oxypropanoate;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;trideca-1,3,5,7,9,11-hexayne has a molecular weight of 4245.58 g/mol, XLogP of 13.62, 54 rotatable bonds, 7 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,5-bis(phenylmethoxy)-2-pyridinyl]-4-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazol-5-one;tert-butyl 2-[(Z)-[3-[(3S)-1-[2-[[3-[4,5-bis(phenylmethoxy)-2-pyridinyl]-4-[(2R)-2-hydroxypropyl]-5-oxo-1,2,4-triazol-1-yl]sulfonyl]acetyl]-2-oxoazetidin-3-yl]-1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-[(Z)-[3-[(3S)-1-[2-[[3-(5-hydroxy-4-oxo-1H-pyridin-2-yl)-4-[(2R)-2-hydroxypropyl]-5-oxo-1,2,4-triazol-1-yl]sulfonyl]acetyl]-2-oxoazetidin-3-yl]-1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-methyl-2-[(Z)-[1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]-2-oxo-3-[(3S)-2-oxoazetidin-3-yl]propylidene]amino]oxypropanoate;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;trideca-1,3,5,7,9,11-hexayne is sourced from PubChem (CID 172917704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).