tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(pyrimidin-2-ylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methoxy N-[(2S)-3-methyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-3-methyl-2-(pyrimidin-2-ylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]methanimidate;(2S)-3-methyl-2-(pyrimidin-2-ylamino)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-1-one

C123H147N29O12 — CID 157343229

IUPACtert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(pyrimidin-2-ylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methoxy N-[(2S)-3-methyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-3-methyl-2-(pyrimidin-2-ylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]methanimidate;(2S)-3-methyl-2-(pyrimidin-2-ylamino)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-1-one
SMILESCC(C)[C@H](Nc1ncccn1)C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5)[nH]4)cc3)cc2)[nH]1.CC[C@H](Nc1ncccn1)C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)cc3)cc2)[nH]1.COC(=O)N[C@H](C(=O)O)C(C)C.COO/C=N/[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](Nc5ncccn5)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C
InChIInChI=1S/C42H50N10O4.C39H45N9O3.C35H39N9O.C7H13NO4/c1-26(2)36(47-25-56-55-5)40(53)51-21-6-9-34(51)38-45-23-32(48-38)30-15-11-28(12-16-30)29-13-17-31(18-14-29)33-24-46-39(49-33)35-10-7-22-52(35)41(54)37(27(3)4)50-42-43-19-8-20-44-42;1-5-29(46-37-40-19-8-20-41-37)36(49)47-21-6-9-32(47)34-42-23-30(44-34)27-15-11-25(12-16-27)26-13-17-28(18-14-26)31-24-43-35(45-31)33-10-7-22-48(33)38(50)51-39(2,3)4;1-22(2)31(43-35-37-17-5-18-38-35)34(45)44-19-4-7-30(44)33-40-21-29(42-33)26-14-10-24(11-15-26)23-8-12-25(13-9-23)28-20-39-32(41-28)27-6-3-16-36-27;1-4(2)5(6(9)10)8-7(11)12-3/h8,11-20,23-27,34-37H,6-7,9-10,21-22H2,1-5H3,(H,45,48)(H,46,49)(H,43,44,50);8,11-20,23-24,29,32-33H,5-7,9-10,21-22H2,1-4H3,(H,42,44)(H,43,45)(H,40,41,46);5,8-15,17-18,20-22,27,30-31,36H,3-4,6-7,16,19H2,1-2H3,(H,39,41)(H,40,42)(H,37,38,43);4-5H,1-3H3,(H,8,11)(H,9,10)/b47-25+;;;/t34-,35-,36-,37-;29-,32-,33-;27-,30-,31-;5-/m0000/s1
InChIKeyBGQMTYLPWDBLIC-PTWFWLPQSA-N
MW2223.72 g/mol
LogP21.17
Rot. Bonds35

About tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(pyrimidin-2-ylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methoxy N-[(2S)-3-methyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-3-methyl-2-(pyrimidin-2-ylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]methanimidate;(2S)-3-methyl-2-(pyrimidin-2-ylamino)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-1-one

tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(pyrimidin-2-ylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methoxy N-[(2S)-3-methyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-3-methyl-2-(pyrimidin-2-ylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]methanimidate;(2S)-3-methyl-2-(pyrimidin-2-ylamino)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-1-one (PubChem CID 157343229) has the molecular formula C123H147N29O12 and a molecular weight of 2223.72 g/mol. Its IUPAC name is tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(pyrimidin-2-ylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methoxy N-[(2S)-3-methyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-3-methyl-2-(pyrimidin-2-ylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]methanimidate;(2S)-3-methyl-2-(pyrimidin-2-ylamino)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Nametert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(pyrimidin-2-ylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methoxy N-[(2S)-3-methyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-3-methyl-2-(pyrimidin-2-ylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]methanimidate;(2S)-3-methyl-2-(pyrimidin-2-ylamino)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-1-one
PubChem CID157343229
Molecular FormulaC123H147N29O12
Molecular Weight2223.72 g/mol
Exact Mass2222.18
IUPAC Nametert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(pyrimidin-2-ylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methoxy N-[(2S)-3-methyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-3-methyl-2-(pyrimidin-2-ylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]methanimidate;(2S)-3-methyl-2-(pyrimidin-2-ylamino)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-1-one
SMILESCC(C)[C@H](Nc1ncccn1)C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5)[nH]4)cc3)cc2)[nH]1.CC[C@H](Nc1ncccn1)C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)cc3)cc2)[nH]1.COC(=O)N[C@H](C(=O)O)C(C)C.COO/C=N/[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](Nc5ncccn5)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C
InChIInChI=1S/C42H50N10O4.C39H45N9O3.C35H39N9O.C7H13NO4/c1-26(2)36(47-25-56-55-5)40(53)51-21-6-9-34(51)38-45-23-32(48-38)30-15-11-28(12-16-30)29-13-17-31(18-14-29)33-24-46-39(49-33)35-10-7-22-52(35)41(54)37(27(3)4)50-42-43-19-8-20-44-42;1-5-29(46-37-40-19-8-20-41-37)36(49)47-21-6-9-32(47)34-42-23-30(44-34)27-15-11-25(12-16-27)26-13-17-28(18-14-26)31-24-43-35(45-31)33-10-7-22-48(33)38(50)51-39(2,3)4;1-22(2)31(43-35-37-17-5-18-38-35)34(45)44-19-4-7-30(44)33-40-21-29(42-33)26-14-10-24(11-15-26)23-8-12-25(13-9-23)28-20-39-32(41-28)27-6-3-16-36-27;1-4(2)5(6(9)10)8-7(11)12-3/h8,11-20,23-27,34-37H,6-7,9-10,21-22H2,1-5H3,(H,45,48)(H,46,49)(H,43,44,50);8,11-20,23-24,29,32-33H,5-7,9-10,21-22H2,1-4H3,(H,42,44)(H,43,45)(H,40,41,46);5,8-15,17-18,20-22,27,30-31,36H,3-4,6-7,16,19H2,1-2H3,(H,39,41)(H,40,42)(H,37,38,43);4-5H,1-3H3,(H,8,11)(H,9,10)/b47-25+;;;/t34-,35-,36-,37-;29-,32-,33-;27-,30-,31-;5-/m0000/s1
InChIKeyBGQMTYLPWDBLIC-PTWFWLPQSA-N
XLogP21.17
TPSA514.77 Ų
H-Bond Donors12
H-Bond Acceptors28
Rotatable Bonds35
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002223.72
LogP ≤ 521.17
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(pyrimidin-2-ylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methoxy N-[(2S)-3-methyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-3-methyl-2-(pyrimidin-2-ylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]methanimidate;(2S)-3-methyl-2-(pyrimidin-2-ylamino)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(pyrimidin-2-ylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methoxy N-[(2S)-3-methyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-3-methyl-2-(pyrimidin-2-ylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]methanimidate;(2S)-3-methyl-2-(pyrimidin-2-ylamino)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-1-one?
The IUPAC name of tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(pyrimidin-2-ylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methoxy N-[(2S)-3-methyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-3-methyl-2-(pyrimidin-2-ylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]methanimidate;(2S)-3-methyl-2-(pyrimidin-2-ylamino)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-1-one (CID 157343229) is tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(pyrimidin-2-ylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methoxy N-[(2S)-3-methyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-3-methyl-2-(pyrimidin-2-ylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]methanimidate;(2S)-3-methyl-2-(pyrimidin-2-ylamino)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(pyrimidin-2-ylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methoxy N-[(2S)-3-methyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-3-methyl-2-(pyrimidin-2-ylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]methanimidate;(2S)-3-methyl-2-(pyrimidin-2-ylamino)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(pyrimidin-2-ylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methoxy N-[(2S)-3-methyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-3-methyl-2-(pyrimidin-2-ylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]methanimidate;(2S)-3-methyl-2-(pyrimidin-2-ylamino)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-1-one is CC(C)[C@H](Nc1ncccn1)C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5)[nH]4)cc3)cc2)[nH]1.CC[C@H](Nc1ncccn1)C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)cc3)cc2)[nH]1.COC(=O)N[C@H](C(=O)O)C(C)C.COO/C=N/[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](Nc5ncccn5)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C.
What is the InChIKey of tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(pyrimidin-2-ylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methoxy N-[(2S)-3-methyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-3-methyl-2-(pyrimidin-2-ylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]methanimidate;(2S)-3-methyl-2-(pyrimidin-2-ylamino)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-1-one?
The InChIKey is BGQMTYLPWDBLIC-PTWFWLPQSA-N. The full InChI is InChI=1S/C42H50N10O4.C39H45N9O3.C35H39N9O.C7H13NO4/c1-26(2)36(47-25-56-55-5)40(53)51-21-6-9-34(51)38-45-23-32(48-38)30-15-11-28(12-16-30)29-13-17-31(18-14-29)33-24-46-39(49-33)35-10-7-22-52(35)41(54)37(27(3)4)50-42-43-19-8-20-44-42;1-5-29(46-37-40-19-8-20-41-37)36(49)47-21-6-9-32(47)34-42-23-30(44-34)27-15-11-25(12-16-27)26-13-17-28(18-14-26)31-24-43-35(45-31)33-10-7-22-48(33)38(50)51-39(2,3)4;1-22(2)31(43-35-37-17-5-18-38-35)34(45)44-19-4-7-30(44)33-40-21-29(42-33)26-14-10-24(11-15-26)23-8-12-25(13-9-23)28-20-39-32(41-28)27-6-3-16-36-27;1-4(2)5(6(9)10)8-7(11)12-3/h8,11-20,23-27,34-37H,6-7,9-10,21-22H2,1-5H3,(H,45,48)(H,46,49)(H,43,44,50);8,11-20,23-24,29,32-33H,5-7,9-10,21-22H2,1-4H3,(H,42,44)(H,43,45)(H,40,41,46);5,8-15,17-18,20-22,27,30-31,36H,3-4,6-7,16,19H2,1-2H3,(H,39,41)(H,40,42)(H,37,38,43);4-5H,1-3H3,(H,8,11)(H,9,10)/b47-25+;;;/t34-,35-,36-,37-;29-,32-,33-;27-,30-,31-;5-/m0000/s1.
What are the key properties of tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(pyrimidin-2-ylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methoxy N-[(2S)-3-methyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-3-methyl-2-(pyrimidin-2-ylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]methanimidate;(2S)-3-methyl-2-(pyrimidin-2-ylamino)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-1-one?
tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(pyrimidin-2-ylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methoxy N-[(2S)-3-methyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-3-methyl-2-(pyrimidin-2-ylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]methanimidate;(2S)-3-methyl-2-(pyrimidin-2-ylamino)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-1-one has a molecular weight of 2223.72 g/mol, XLogP of 21.17, 35 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(pyrimidin-2-ylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methoxy N-[(2S)-3-methyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-3-methyl-2-(pyrimidin-2-ylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]methanimidate;(2S)-3-methyl-2-(pyrimidin-2-ylamino)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 157343229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).