tert-butyl (3S)-3-amino-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;methane;3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxybenzoic acid

C140H173Cl2F14N17O32S3 — CID 157271677

About tert-butyl (3S)-3-amino-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;methane;3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxybenzoic acid

tert-butyl (3S)-3-amino-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;methane;3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxybenzoic acid (PubChem CID 157271677) has the molecular formula C140H173Cl2F14N17O32S3 and a molecular weight of 3039.09 g/mol. Its IUPAC name is tert-butyl (3S)-3-amino-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;methane;3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxybenzoic acid.

Molecular Properties

• Compound Name: tert-butyl (3S)-3-amino-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;methane;3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxybenzoic acid
• PubChem CID: 157271677
• Molecular Formula: C140H173Cl2F14N17O32S3
• Molecular Weight: 3039.09 g/mol
• Exact Mass: 3036.07
• IUPAC Name: tert-butyl (3S)-3-amino-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;methane;3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxybenzoic acid
• SMILES: C.CC(C)(C)OC(=O)N1C[C@@](C)(NS(=O)C(C)(C)C)c2cc([C@](O)(CN)C(F)(F)F)nc(Cl)c21.COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)N(C(=O)OC(C)(C)C)C[C@@]3(C)N)C(F)(F)F)ccc1O[C@H]1CCNC1=O.COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)N(C(=O)OC(C)(C)C)C[C@@]3(C)NS(=O)C(C)(C)C)C(F)(F)F)ccc1O[C@H]1CCNC1=O.COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(Cl)n2)N(C(=O)OC(C)(C)C)C[C@@]3(C)NS(=O)C(C)(C)C)C(F)(F)F)ccc1O[C@H]1CCNC1=O.COc1cc(C(=O)O)ccc1O[C@H]1CCNC1=O
• InChI: InChI=1S/C39H46F4N4O8S.C35H38F4N4O7.C33H42ClF3N4O8S.C20H30ClF3N4O4S.C12H13NO5.CH4/c1-35(2,3)55-34(50)47-21-37(7,46-56(52)36(4,5)6)25-20-30(45-31(32(25)47)22-9-12-24(40)13-10-22)38(51,39(41,42)43)17-15-26(48)23-11-14-27(29(19-23)53-8)54-28-16-18-44-33(28)49;1-32(2,3)50-31(46)43-18-33(4,40)22-17-27(42-28(29(22)43)19-6-9-21(36)10-7-19)34(47,35(37,38)39)14-12-23(44)20-8-11-24(26(16-20)48-5)49-25-13-15-41-30(25)45;1-29(2,3)49-28(44)41-17-31(7,40-50(46)30(4,5)6)19-16-24(39-26(34)25(19)41)32(45,33(35,36)37)13-11-20(42)18-9-10-21(23(15-18)47-8)48-22-12-14-38-27(22)43;1-16(2,3)32-15(29)28-10-18(7,27-33(31)17(4,5)6)11-8-12(26-14(21)13(11)28)19(30,9-25)20(22,23)24;1-17-10-6-7(12(15)16)2-3-8(10)18-9-4-5-13-11(9)14;/h9-14,19-20,28,46,51H,15-18,21H2,1-8H3,(H,44,49);6-11,16-17,25,47H,12-15,18,40H2,1-5H3,(H,41,45);9-10,15-16,22,40,45H,11-14,17H2,1-8H3,(H,38,43);8,27,30H,9-10,25H2,1-7H3;2-3,6,9H,4-5H2,1H3,(H,13,14)(H,15,16);1H4/t28-,37+,38+,56?;25-,33+,34+;22-,31+,32+,50?;18-,19-,33?;9-;/m00010./s1
• InChIKey: AYPOFDXURWOMTA-RPWZEWCRSA-N
• XLogP: 22.31
• TPSA: 668.73 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 37
• Rotatable Bonds: 38
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3039.09
LogP ≤ 5	22.31
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-amino-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;methane;3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxybenzoic acid?

The IUPAC name of tert-butyl (3S)-3-amino-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;methane;3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxybenzoic acid (CID 157271677) is tert-butyl (3S)-3-amino-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;methane;3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxybenzoic acid.

What is the SMILES notation for tert-butyl (3S)-3-amino-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;methane;3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxybenzoic acid?

The canonical SMILES for tert-butyl (3S)-3-amino-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;methane;3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxybenzoic acid is C.CC(C)(C)OC(=O)N1C[C@@](C)(NS(=O)C(C)(C)C)c2cc([C@](O)(CN)C(F)(F)F)nc(Cl)c21.COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)N(C(=O)OC(C)(C)C)C[C@@]3(C)N)C(F)(F)F)ccc1O[C@H]1CCNC1=O.COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)N(C(=O)OC(C)(C)C)C[C@@]3(C)NS(=O)C(C)(C)C)C(F)(F)F)ccc1O[C@H]1CCNC1=O.COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(Cl)n2)N(C(=O)OC(C)(C)C)C[C@@]3(C)NS(=O)C(C)(C)C)C(F)(F)F)ccc1O[C@H]1CCNC1=O.COc1cc(C(=O)O)ccc1O[C@H]1CCNC1=O.

What is the InChIKey of tert-butyl (3S)-3-amino-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;methane;3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxybenzoic acid?

The InChIKey is AYPOFDXURWOMTA-RPWZEWCRSA-N. The full InChI is InChI=1S/C39H46F4N4O8S.C35H38F4N4O7.C33H42ClF3N4O8S.C20H30ClF3N4O4S.C12H13NO5.CH4/c1-35(2,3)55-34(50)47-21-37(7,46-56(52)36(4,5)6)25-20-30(45-31(32(25)47)22-9-12-24(40)13-10-22)38(51,39(41,42)43)17-15-26(48)23-11-14-27(29(19-23)53-8)54-28-16-18-44-33(28)49;1-32(2,3)50-31(46)43-18-33(4,40)22-17-27(42-28(29(22)43)19-6-9-21(36)10-7-19)34(47,35(37,38)39)14-12-23(44)20-8-11-24(26(16-20)48-5)49-25-13-15-41-30(25)45;1-29(2,3)49-28(44)41-17-31(7,40-50(46)30(4,5)6)19-16-24(39-26(34)25(19)41)32(45,33(35,36)37)13-11-20(42)18-9-10-21(23(15-18)47-8)48-22-12-14-38-27(22)43;1-16(2,3)32-15(29)28-10-18(7,27-33(31)17(4,5)6)11-8-12(26-14(21)13(11)28)19(30,9-25)20(22,23)24;1-17-10-6-7(12(15)16)2-3-8(10)18-9-4-5-13-11(9)14;/h9-14,19-20,28,46,51H,15-18,21H2,1-8H3,(H,44,49);6-11,16-17,25,47H,12-15,18,40H2,1-5H3,(H,41,45);9-10,15-16,22,40,45H,11-14,17H2,1-8H3,(H,38,43);8,27,30H,9-10,25H2,1-7H3;2-3,6,9H,4-5H2,1H3,(H,13,14)(H,15,16);1H4/t28-,37+,38+,56?;25-,33+,34+;22-,31+,32+,50?;18-,19-,33?;9-;/m00010./s1.

What are the key properties of tert-butyl (3S)-3-amino-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;methane;3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxybenzoic acid?

tert-butyl (3S)-3-amino-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;methane;3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxybenzoic acid has a molecular weight of 3039.09 g/mol, XLogP of 22.31, 38 rotatable bonds, 14 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3S)-3-amino-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl (3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxyphenyl]-5-oxopentan-2-yl]-2H-pyrrolo[2,3-c]pyridine-1-carboxylate;methane;3-methoxy-4-[(3S)-2-oxopyrrolidin-3-yl]oxybenzoic acid is sourced from PubChem (CID 157271677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).