(6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-[2-[4-[(2-cyclobutyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;tert-butyl 2-[(Z)-[3-[(6R,7R)-2-acetyl-3-[2-[4-(chloromethyl)phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-[(Z)-[3-[(6R,7R)-2-acetyl-3-[2-[4-[(2-cyclobutyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxopropylidene]amino]oxy-2-methylpropanoate;2-cyclobutyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol;bromide

C129H149BrClN13O25S6+2 — CID 172960698

About (6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-[2-[4-[(2-cyclobutyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;tert-butyl 2-[(Z)-[3-[(6R,7R)-2-acetyl-3-[2-[4-(chloromethyl)phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-[(Z)-[3-[(6R,7R)-2-acetyl-3-[2-[4-[(2-cyclobutyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxopropylidene]amino]oxy-2-methylpropanoate;2-cyclobutyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol;bromide

(6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-[2-[4-[(2-cyclobutyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;tert-butyl 2-[(Z)-[3-[(6R,7R)-2-acetyl-3-[2-[4-(chloromethyl)phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-[(Z)-[3-[(6R,7R)-2-acetyl-3-[2-[4-[(2-cyclobutyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxopropylidene]amino]oxy-2-methylpropanoate;2-cyclobutyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol;bromide (PubChem CID 172960698) has the molecular formula C129H149BrClN13O25S6+2 and a molecular weight of 2589.44 g/mol. Its IUPAC name is (6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-[2-[4-[(2-cyclobutyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;tert-butyl 2-[(Z)-[3-[(6R,7R)-2-acetyl-3-[2-[4-(chloromethyl)phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-[(Z)-[3-[(6R,7R)-2-acetyl-3-[2-[4-[(2-cyclobutyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxopropylidene]amino]oxy-2-methylpropanoate;2-cyclobutyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol;bromide.

Molecular Properties

• Compound Name: (6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-[2-[4-[(2-cyclobutyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;tert-butyl 2-[(Z)-[3-[(6R,7R)-2-acetyl-3-[2-[4-(chloromethyl)phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-[(Z)-[3-[(6R,7R)-2-acetyl-3-[2-[4-[(2-cyclobutyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxopropylidene]amino]oxy-2-methylpropanoate;2-cyclobutyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol;bromide
• PubChem CID: 172960698
• Molecular Formula: C129H149BrClN13O25S6+2
• Molecular Weight: 2589.44 g/mol
• Exact Mass: 2585.80
• IUPAC Name: (6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-[2-[4-[(2-cyclobutyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;tert-butyl 2-[(Z)-[3-[(6R,7R)-2-acetyl-3-[2-[4-(chloromethyl)phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-[(Z)-[3-[(6R,7R)-2-acetyl-3-[2-[4-[(2-cyclobutyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxopropylidene]amino]oxy-2-methylpropanoate;2-cyclobutyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol;bromide
• SMILES: CC(=O)C1=C(C=Cc2ccc(CCl)cc2)CS[C@@H]2[C@H](CC(=O)/C(=N\OC(C)(C)C(=O)OC(C)(C)C)c3csc(C)n3)C(=O)N12.CC(=O)C1=C(C=Cc2ccc(C[N+]3(C4CCC4)CCc4cc(O)c(O)cc4C3)cc2)CS[C@@H]2[C@H](CC(=O)/C(=N\OC(C)(C)C(=O)OC(C)(C)C)c3csc(C)n3)C(=O)N12.CC(C)(O/N=C(\C(=O)C[C@@H]1C(=O)N2C(C(=O)O)=C(C=Cc3ccc(C[N+]4(C5CCC5)CCc5cc(O)c(O)cc5C4)cc3)CS[C@H]12)c1csc(N)n1)C(=O)O.Oc1cc2c(cc1O)C[NH+](C1CCC1)CC2.[Br-]
• InChI: InChI=1S/C45H52N4O8S2.C39H41N5O9S2.C32H36ClN3O6S2.C13H17NO2.BrH/c1-26(50)40-31(16-15-28-11-13-29(14-12-28)22-49(33-9-8-10-33)18-17-30-19-36(51)37(52)20-32(30)23-49)24-59-42-34(41(54)48(40)42)21-38(53)39(35-25-58-27(2)46-35)47-57-45(6,7)43(55)56-44(3,4)5;1-39(2,37(51)52)53-42-32(28-20-55-38(40)41-28)31(47)16-27-34(48)43-33(36(49)50)24(19-54-35(27)43)11-10-21-6-8-22(9-7-21)17-44(26-4-3-5-26)13-12-23-14-29(45)30(46)15-25(23)18-44;1-18(37)27-22(13-12-20-8-10-21(15-33)11-9-20)16-44-29-23(28(39)36(27)29)14-25(38)26(24-17-43-19(2)34-24)35-42-32(6,7)30(40)41-31(3,4)5;15-12-6-9-4-5-14(11-2-1-3-11)8-10(9)7-13(12)16;/h11-16,19-20,25,33-34,42H,8-10,17-18,21-24H2,1-7H3,(H-,47,51,52,53);6-11,14-15,20,26-27,35H,3-5,12-13,16-19H2,1-2H3,(H5-,40,41,42,45,46,47,49,50,51,52);8-13,17,23,29H,14-16H2,1-7H3;6-7,11,15-16H,1-5,8H2;1H/p+2/b;;13-12?,35-26-;;/t34-,42-,49?;27-,35-,44?;23-,29-;;/m111../s1
• InChIKey: NXQSGAVAPGYTEP-FHKCSSSPSA-P
• XLogP: 15.94
• TPSA: 528.76 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 36
• Rotatable Bonds: 38
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2589.44
LogP ≤ 5	15.94
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-[2-[4-[(2-cyclobutyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;tert-butyl 2-[(Z)-[3-[(6R,7R)-2-acetyl-3-[2-[4-(chloromethyl)phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-[(Z)-[3-[(6R,7R)-2-acetyl-3-[2-[4-[(2-cyclobutyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxopropylidene]amino]oxy-2-methylpropanoate;2-cyclobutyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol;bromide?

The IUPAC name of (6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-[2-[4-[(2-cyclobutyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;tert-butyl 2-[(Z)-[3-[(6R,7R)-2-acetyl-3-[2-[4-(chloromethyl)phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-[(Z)-[3-[(6R,7R)-2-acetyl-3-[2-[4-[(2-cyclobutyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxopropylidene]amino]oxy-2-methylpropanoate;2-cyclobutyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol;bromide (CID 172960698) is (6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-[2-[4-[(2-cyclobutyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;tert-butyl 2-[(Z)-[3-[(6R,7R)-2-acetyl-3-[2-[4-(chloromethyl)phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-[(Z)-[3-[(6R,7R)-2-acetyl-3-[2-[4-[(2-cyclobutyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxopropylidene]amino]oxy-2-methylpropanoate;2-cyclobutyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol;bromide.

What is the SMILES notation for (6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-[2-[4-[(2-cyclobutyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;tert-butyl 2-[(Z)-[3-[(6R,7R)-2-acetyl-3-[2-[4-(chloromethyl)phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-[(Z)-[3-[(6R,7R)-2-acetyl-3-[2-[4-[(2-cyclobutyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxopropylidene]amino]oxy-2-methylpropanoate;2-cyclobutyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol;bromide?

The canonical SMILES for (6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-[2-[4-[(2-cyclobutyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;tert-butyl 2-[(Z)-[3-[(6R,7R)-2-acetyl-3-[2-[4-(chloromethyl)phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-[(Z)-[3-[(6R,7R)-2-acetyl-3-[2-[4-[(2-cyclobutyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxopropylidene]amino]oxy-2-methylpropanoate;2-cyclobutyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol;bromide is CC(=O)C1=C(C=Cc2ccc(CCl)cc2)CS[C@@H]2[C@H](CC(=O)/C(=N\OC(C)(C)C(=O)OC(C)(C)C)c3csc(C)n3)C(=O)N12.CC(=O)C1=C(C=Cc2ccc(C[N+]3(C4CCC4)CCc4cc(O)c(O)cc4C3)cc2)CS[C@@H]2[C@H](CC(=O)/C(=N\OC(C)(C)C(=O)OC(C)(C)C)c3csc(C)n3)C(=O)N12.CC(C)(O/N=C(\C(=O)C[C@@H]1C(=O)N2C(C(=O)O)=C(C=Cc3ccc(C[N+]4(C5CCC5)CCc5cc(O)c(O)cc5C4)cc3)CS[C@H]12)c1csc(N)n1)C(=O)O.Oc1cc2c(cc1O)C[NH+](C1CCC1)CC2.[Br-].

What is the InChIKey of (6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-[2-[4-[(2-cyclobutyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;tert-butyl 2-[(Z)-[3-[(6R,7R)-2-acetyl-3-[2-[4-(chloromethyl)phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-[(Z)-[3-[(6R,7R)-2-acetyl-3-[2-[4-[(2-cyclobutyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxopropylidene]amino]oxy-2-methylpropanoate;2-cyclobutyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol;bromide?

The InChIKey is NXQSGAVAPGYTEP-FHKCSSSPSA-P. The full InChI is InChI=1S/C45H52N4O8S2.C39H41N5O9S2.C32H36ClN3O6S2.C13H17NO2.BrH/c1-26(50)40-31(16-15-28-11-13-29(14-12-28)22-49(33-9-8-10-33)18-17-30-19-36(51)37(52)20-32(30)23-49)24-59-42-34(41(54)48(40)42)21-38(53)39(35-25-58-27(2)46-35)47-57-45(6,7)43(55)56-44(3,4)5;1-39(2,37(51)52)53-42-32(28-20-55-38(40)41-28)31(47)16-27-34(48)43-33(36(49)50)24(19-54-35(27)43)11-10-21-6-8-22(9-7-21)17-44(26-4-3-5-26)13-12-23-14-29(45)30(46)15-25(23)18-44;1-18(37)27-22(13-12-20-8-10-21(15-33)11-9-20)16-44-29-23(28(39)36(27)29)14-25(38)26(24-17-43-19(2)34-24)35-42-32(6,7)30(40)41-31(3,4)5;15-12-6-9-4-5-14(11-2-1-3-11)8-10(9)7-13(12)16;/h11-16,19-20,25,33-34,42H,8-10,17-18,21-24H2,1-7H3,(H-,47,51,52,53);6-11,14-15,20,26-27,35H,3-5,12-13,16-19H2,1-2H3,(H5-,40,41,42,45,46,47,49,50,51,52);8-13,17,23,29H,14-16H2,1-7H3;6-7,11,15-16H,1-5,8H2;1H/p+2/b;;13-12?,35-26-;;/t34-,42-,49?;27-,35-,44?;23-,29-;;/m111../s1.

What are the key properties of (6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-[2-[4-[(2-cyclobutyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;tert-butyl 2-[(Z)-[3-[(6R,7R)-2-acetyl-3-[2-[4-(chloromethyl)phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-[(Z)-[3-[(6R,7R)-2-acetyl-3-[2-[4-[(2-cyclobutyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxopropylidene]amino]oxy-2-methylpropanoate;2-cyclobutyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol;bromide?

(6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-[2-[4-[(2-cyclobutyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;tert-butyl 2-[(Z)-[3-[(6R,7R)-2-acetyl-3-[2-[4-(chloromethyl)phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-[(Z)-[3-[(6R,7R)-2-acetyl-3-[2-[4-[(2-cyclobutyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxopropylidene]amino]oxy-2-methylpropanoate;2-cyclobutyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol;bromide has a molecular weight of 2589.44 g/mol, XLogP of 15.94, 38 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for (6R,7R)-7-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-[2-[4-[(2-cyclobutyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;tert-butyl 2-[(Z)-[3-[(6R,7R)-2-acetyl-3-[2-[4-(chloromethyl)phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxopropylidene]amino]oxy-2-methylpropanoate;tert-butyl 2-[(Z)-[3-[(6R,7R)-2-acetyl-3-[2-[4-[(2-cyclobutyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]phenyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxopropylidene]amino]oxy-2-methylpropanoate;2-cyclobutyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol;bromide is sourced from PubChem (CID 172960698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).