2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-(4-acetyloxy-3-fluorophenyl)-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-[3-chloro-4-(2,2-dimethylpropoxycarbonyloxy)phenyl]-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-(3-chloro-4-hydroxyphenyl)-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-4-(cyclopropylsulfonylcarbamoyl)-20-[4-(3-fluoro-4-hydroxyphenyl)-1,3-thiazole-2-carbonyl]-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate

C168H212Cl2F2N20O39S8 — CID 160510534

About 2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-(4-acetyloxy-3-fluorophenyl)-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-[3-chloro-4-(2,2-dimethylpropoxycarbonyloxy)phenyl]-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-(3-chloro-4-hydroxyphenyl)-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-4-(cyclopropylsulfonylcarbamoyl)-20-[4-(3-fluoro-4-hydroxyphenyl)-1,3-thiazole-2-carbonyl]-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate

2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-(4-acetyloxy-3-fluorophenyl)-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-[3-chloro-4-(2,2-dimethylpropoxycarbonyloxy)phenyl]-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-(3-chloro-4-hydroxyphenyl)-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-4-(cyclopropylsulfonylcarbamoyl)-20-[4-(3-fluoro-4-hydroxyphenyl)-1,3-thiazole-2-carbonyl]-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate (PubChem CID 160510534) has the molecular formula C168H212Cl2F2N20O39S8 and a molecular weight of 3501.08 g/mol. Its IUPAC name is 2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-(4-acetyloxy-3-fluorophenyl)-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-[3-chloro-4-(2,2-dimethylpropoxycarbonyloxy)phenyl]-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-(3-chloro-4-hydroxyphenyl)-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-4-(cyclopropylsulfonylcarbamoyl)-20-[4-(3-fluoro-4-hydroxyphenyl)-1,3-thiazole-2-carbonyl]-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate.

Molecular Properties

• Compound Name: 2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-(4-acetyloxy-3-fluorophenyl)-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-[3-chloro-4-(2,2-dimethylpropoxycarbonyloxy)phenyl]-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-(3-chloro-4-hydroxyphenyl)-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-4-(cyclopropylsulfonylcarbamoyl)-20-[4-(3-fluoro-4-hydroxyphenyl)-1,3-thiazole-2-carbonyl]-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate
• PubChem CID: 160510534
• Molecular Formula: C168H212Cl2F2N20O39S8
• Molecular Weight: 3501.08 g/mol
• Exact Mass: 3497.23
• IUPAC Name: 2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-(4-acetyloxy-3-fluorophenyl)-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-[3-chloro-4-(2,2-dimethylpropoxycarbonyloxy)phenyl]-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-(3-chloro-4-hydroxyphenyl)-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-4-(cyclopropylsulfonylcarbamoyl)-20-[4-(3-fluoro-4-hydroxyphenyl)-1,3-thiazole-2-carbonyl]-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate
• SMILES: CC(=O)Oc1ccc(-c2csc(C(=O)N3C[C@H]4CN5C(=O)[C@@H](CC(=O)OCC(C)(C)C)CCCCC/C=C\[C@@H]6C[C@@]6(C(=O)NS(=O)(=O)C6CC6)NC(=O)[C@@H]5[C@H]4C3)n2)cc1F.CC(C)(C)COC(=O)C[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2[C@H]3CN(C(=O)c4nc(-c5ccc(O)c(Cl)c5)cs4)C[C@H]3CN2C1=O.CC(C)(C)COC(=O)C[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2[C@H]3CN(C(=O)c4nc(-c5ccc(O)c(F)c5)cs4)C[C@H]3CN2C1=O.CC(C)(C)COC(=O)C[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2[C@H]3CN(C(=O)c4nc(-c5ccc(OC(=O)OCC(C)(C)C)c(Cl)c5)cs4)C[C@H]3CN2C1=O
• InChI: InChI=1S/C46H60ClN5O11S2.C42H52FN5O10S2.C40H50ClN5O9S2.C40H50FN5O9S2/c1-44(2,3)25-61-36(53)19-28-12-10-8-7-9-11-13-30-20-46(30,42(57)50-65(59,60)31-15-16-31)49-38(54)37-32-23-51(21-29(32)22-52(37)40(28)55)41(56)39-48-34(24-64-39)27-14-17-35(33(47)18-27)63-43(58)62-26-45(4,5)6;1-24(49)58-33-15-12-25(16-31(33)43)32-22-59-37(44-32)39(53)47-19-27-20-48-35(30(27)21-47)36(51)45-42(40(54)46-60(55,56)29-13-14-29)18-28(42)11-9-7-5-6-8-10-26(38(48)52)17-34(50)57-23-41(2,3)4;2*1-39(2,3)22-55-32(48)16-24-9-7-5-4-6-8-10-26-17-40(26,38(52)44-57(53,54)27-12-13-27)43-34(49)33-28-20-45(18-25(28)19-46(33)36(24)50)37(51)35-42-30(21-56-35)23-11-14-31(47)29(41)15-23/h11,13-14,17-18,24,28-32,37H,7-10,12,15-16,19-23,25-26H2,1-6H3,(H,49,54)(H,50,57);9,11-12,15-16,22,26-30,35H,5-8,10,13-14,17-21,23H2,1-4H3,(H,45,51)(H,46,54);2*8,10-11,14-15,21,24-28,33,47H,4-7,9,12-13,16-20,22H2,1-3H3,(H,43,49)(H,44,52)/b13-11-;11-9-;2*10-8-/t28-,29+,30-,32+,37+,46-;26-,27+,28-,30+,35+,42-;2*24-,25+,26-,28+,33+,40-/m1111/s1
• InChIKey: QSZJQDBBEGZERE-HCBHHBNDSA-N
• XLogP: 19.72
• TPSA: 790.89 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 47
• Rotatable Bonds: 35
• Heavy Atoms: 239
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3501.08
LogP ≤ 5	19.72
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	47

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-(4-acetyloxy-3-fluorophenyl)-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-[3-chloro-4-(2,2-dimethylpropoxycarbonyloxy)phenyl]-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-(3-chloro-4-hydroxyphenyl)-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-4-(cyclopropylsulfonylcarbamoyl)-20-[4-(3-fluoro-4-hydroxyphenyl)-1,3-thiazole-2-carbonyl]-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate?

The IUPAC name of 2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-(4-acetyloxy-3-fluorophenyl)-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-[3-chloro-4-(2,2-dimethylpropoxycarbonyloxy)phenyl]-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-(3-chloro-4-hydroxyphenyl)-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-4-(cyclopropylsulfonylcarbamoyl)-20-[4-(3-fluoro-4-hydroxyphenyl)-1,3-thiazole-2-carbonyl]-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate (CID 160510534) is 2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-(4-acetyloxy-3-fluorophenyl)-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-[3-chloro-4-(2,2-dimethylpropoxycarbonyloxy)phenyl]-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-(3-chloro-4-hydroxyphenyl)-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-4-(cyclopropylsulfonylcarbamoyl)-20-[4-(3-fluoro-4-hydroxyphenyl)-1,3-thiazole-2-carbonyl]-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate.

What is the SMILES notation for 2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-(4-acetyloxy-3-fluorophenyl)-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-[3-chloro-4-(2,2-dimethylpropoxycarbonyloxy)phenyl]-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-(3-chloro-4-hydroxyphenyl)-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-4-(cyclopropylsulfonylcarbamoyl)-20-[4-(3-fluoro-4-hydroxyphenyl)-1,3-thiazole-2-carbonyl]-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate?

The canonical SMILES for 2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-(4-acetyloxy-3-fluorophenyl)-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-[3-chloro-4-(2,2-dimethylpropoxycarbonyloxy)phenyl]-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-(3-chloro-4-hydroxyphenyl)-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-4-(cyclopropylsulfonylcarbamoyl)-20-[4-(3-fluoro-4-hydroxyphenyl)-1,3-thiazole-2-carbonyl]-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate is CC(=O)Oc1ccc(-c2csc(C(=O)N3C[C@H]4CN5C(=O)[C@@H](CC(=O)OCC(C)(C)C)CCCCC/C=C\[C@@H]6C[C@@]6(C(=O)NS(=O)(=O)C6CC6)NC(=O)[C@@H]5[C@H]4C3)n2)cc1F.CC(C)(C)COC(=O)C[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2[C@H]3CN(C(=O)c4nc(-c5ccc(O)c(Cl)c5)cs4)C[C@H]3CN2C1=O.CC(C)(C)COC(=O)C[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2[C@H]3CN(C(=O)c4nc(-c5ccc(O)c(F)c5)cs4)C[C@H]3CN2C1=O.CC(C)(C)COC(=O)C[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2[C@H]3CN(C(=O)c4nc(-c5ccc(OC(=O)OCC(C)(C)C)c(Cl)c5)cs4)C[C@H]3CN2C1=O.

What is the InChIKey of 2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-(4-acetyloxy-3-fluorophenyl)-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-[3-chloro-4-(2,2-dimethylpropoxycarbonyloxy)phenyl]-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-(3-chloro-4-hydroxyphenyl)-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-4-(cyclopropylsulfonylcarbamoyl)-20-[4-(3-fluoro-4-hydroxyphenyl)-1,3-thiazole-2-carbonyl]-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate?

The InChIKey is QSZJQDBBEGZERE-HCBHHBNDSA-N. The full InChI is InChI=1S/C46H60ClN5O11S2.C42H52FN5O10S2.C40H50ClN5O9S2.C40H50FN5O9S2/c1-44(2,3)25-61-36(53)19-28-12-10-8-7-9-11-13-30-20-46(30,42(57)50-65(59,60)31-15-16-31)49-38(54)37-32-23-51(21-29(32)22-52(37)40(28)55)41(56)39-48-34(24-64-39)27-14-17-35(33(47)18-27)63-43(58)62-26-45(4,5)6;1-24(49)58-33-15-12-25(16-31(33)43)32-22-59-37(44-32)39(53)47-19-27-20-48-35(30(27)21-47)36(51)45-42(40(54)46-60(55,56)29-13-14-29)18-28(42)11-9-7-5-6-8-10-26(38(48)52)17-34(50)57-23-41(2,3)4;2*1-39(2,3)22-55-32(48)16-24-9-7-5-4-6-8-10-26-17-40(26,38(52)44-57(53,54)27-12-13-27)43-34(49)33-28-20-45(18-25(28)19-46(33)36(24)50)37(51)35-42-30(21-56-35)23-11-14-31(47)29(41)15-23/h11,13-14,17-18,24,28-32,37H,7-10,12,15-16,19-23,25-26H2,1-6H3,(H,49,54)(H,50,57);9,11-12,15-16,22,26-30,35H,5-8,10,13-14,17-21,23H2,1-4H3,(H,45,51)(H,46,54);2*8,10-11,14-15,21,24-28,33,47H,4-7,9,12-13,16-20,22H2,1-3H3,(H,43,49)(H,44,52)/b13-11-;11-9-;2*10-8-/t28-,29+,30-,32+,37+,46-;26-,27+,28-,30+,35+,42-;2*24-,25+,26-,28+,33+,40-/m1111/s1.

What are the key properties of 2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-(4-acetyloxy-3-fluorophenyl)-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-[3-chloro-4-(2,2-dimethylpropoxycarbonyloxy)phenyl]-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-(3-chloro-4-hydroxyphenyl)-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-4-(cyclopropylsulfonylcarbamoyl)-20-[4-(3-fluoro-4-hydroxyphenyl)-1,3-thiazole-2-carbonyl]-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate?

2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-(4-acetyloxy-3-fluorophenyl)-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-[3-chloro-4-(2,2-dimethylpropoxycarbonyloxy)phenyl]-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-(3-chloro-4-hydroxyphenyl)-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-4-(cyclopropylsulfonylcarbamoyl)-20-[4-(3-fluoro-4-hydroxyphenyl)-1,3-thiazole-2-carbonyl]-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate has a molecular weight of 3501.08 g/mol, XLogP of 19.72, 35 rotatable bonds, 10 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-(4-acetyloxy-3-fluorophenyl)-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-[3-chloro-4-(2,2-dimethylpropoxycarbonyloxy)phenyl]-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-20-[4-(3-chloro-4-hydroxyphenyl)-1,3-thiazole-2-carbonyl]-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate;2,2-dimethylpropyl 2-[(1S,4R,6S,7Z,14R,18S,22R)-4-(cyclopropylsulfonylcarbamoyl)-20-[4-(3-fluoro-4-hydroxyphenyl)-1,3-thiazole-2-carbonyl]-2,15-dioxo-3,16,20-triazatetracyclo[14.6.0.04,6.018,22]docos-7-en-14-yl]acetate is sourced from PubChem (CID 160510534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).