N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-4-cyclopropyl-2-ethyl-4-oxobutanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]cyclopropanecarboxamide;N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(2-cyclopropyl-2-oxoethyl)hexanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxohexan-2-yl]cyclopropanecarboxamide;N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(2-cyclopropyl-2-oxoethyl)pentanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxopentan-2-yl]cyclopropanecarboxamide

C135H159N15O12S6 — CID 159077437

IUPACN-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-4-cyclopropyl-2-ethyl-4-oxobutanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]cyclopropanecarboxamide;N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(2-cyclopropyl-2-oxoethyl)hexanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxohexan-2-yl]cyclopropanecarboxamide;N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(2-cyclopropyl-2-oxoethyl)pentanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxopentan-2-yl]cyclopropanecarboxamide
SMILESCCC(CC(=O)C1CC1)C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](CC)NC(=O)C5CC5)s4)cc3)cc2)s1.CCCC[C@@H](CC(=O)C1CC1)C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](CCCC)NC(=O)C5CC5)s4)cc3)cc2)s1.CCC[C@@H](CC(=O)C1CC1)C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](CCC)NC(=O)C5CC5)s4)cc3)cc2)s1
InChIInChI=1S/C47H57N5O4S2.C45H53N5O4S2.C43H49N5O4S2/c1-3-5-9-36(27-40(53)32-17-18-32)46(55)51-25-7-11-38(51)44-48-28-41(57-44)33-19-13-30(14-20-33)31-15-21-34(22-16-31)42-29-49-45(58-42)39-12-8-26-52(39)47(56)37(10-6-4-2)50-43(54)35-23-24-35;1-3-7-34(25-38(51)30-15-16-30)44(53)49-23-5-9-36(49)42-46-26-39(55-42)31-17-11-28(12-18-31)29-13-19-32(20-14-29)40-27-47-43(56-40)37-10-6-24-50(37)45(54)35(8-4-2)48-41(52)33-21-22-33;1-3-26(23-36(49)29-13-14-29)42(51)47-21-5-7-34(47)40-44-24-37(53-40)30-15-9-27(10-16-30)28-11-17-31(18-12-28)38-25-45-41(54-38)35-8-6-22-48(35)43(52)33(4-2)46-39(50)32-19-20-32/h13-16,19-22,28-29,32,35-39H,3-12,17-18,23-27H2,1-2H3,(H,50,54);11-14,17-20,26-27,30,33-37H,3-10,15-16,21-25H2,1-2H3,(H,48,52);9-12,15-18,24-26,29,32-35H,3-8,13-14,19-23H2,1-2H3,(H,46,50)/t36-,37+,38-,39-;34-,35+,36-,37-;26?,33-,34+,35+/m001/s1
InChIKeyKAKSMMROEWGCDO-FPWYFZNSSA-N
MW2376.25 g/mol
LogP28.22
Rot. Bonds48

About N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-4-cyclopropyl-2-ethyl-4-oxobutanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]cyclopropanecarboxamide;N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(2-cyclopropyl-2-oxoethyl)hexanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxohexan-2-yl]cyclopropanecarboxamide;N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(2-cyclopropyl-2-oxoethyl)pentanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxopentan-2-yl]cyclopropanecarboxamide

N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-4-cyclopropyl-2-ethyl-4-oxobutanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]cyclopropanecarboxamide;N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(2-cyclopropyl-2-oxoethyl)hexanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxohexan-2-yl]cyclopropanecarboxamide;N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(2-cyclopropyl-2-oxoethyl)pentanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxopentan-2-yl]cyclopropanecarboxamide (PubChem CID 159077437) has the molecular formula C135H159N15O12S6 and a molecular weight of 2376.25 g/mol. Its IUPAC name is N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-4-cyclopropyl-2-ethyl-4-oxobutanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]cyclopropanecarboxamide;N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(2-cyclopropyl-2-oxoethyl)hexanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxohexan-2-yl]cyclopropanecarboxamide;N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(2-cyclopropyl-2-oxoethyl)pentanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxopentan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-4-cyclopropyl-2-ethyl-4-oxobutanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]cyclopropanecarboxamide;N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(2-cyclopropyl-2-oxoethyl)hexanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxohexan-2-yl]cyclopropanecarboxamide;N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(2-cyclopropyl-2-oxoethyl)pentanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxopentan-2-yl]cyclopropanecarboxamide
PubChem CID159077437
Molecular FormulaC135H159N15O12S6
Molecular Weight2376.25 g/mol
Exact Mass2374.06
IUPAC NameN-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-4-cyclopropyl-2-ethyl-4-oxobutanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]cyclopropanecarboxamide;N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(2-cyclopropyl-2-oxoethyl)hexanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxohexan-2-yl]cyclopropanecarboxamide;N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(2-cyclopropyl-2-oxoethyl)pentanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxopentan-2-yl]cyclopropanecarboxamide
SMILESCCC(CC(=O)C1CC1)C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](CC)NC(=O)C5CC5)s4)cc3)cc2)s1.CCCC[C@@H](CC(=O)C1CC1)C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](CCCC)NC(=O)C5CC5)s4)cc3)cc2)s1.CCC[C@@H](CC(=O)C1CC1)C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](CCC)NC(=O)C5CC5)s4)cc3)cc2)s1
InChIInChI=1S/C47H57N5O4S2.C45H53N5O4S2.C43H49N5O4S2/c1-3-5-9-36(27-40(53)32-17-18-32)46(55)51-25-7-11-38(51)44-48-28-41(57-44)33-19-13-30(14-20-33)31-15-21-34(22-16-31)42-29-49-45(58-42)39-12-8-26-52(39)47(56)37(10-6-4-2)50-43(54)35-23-24-35;1-3-7-34(25-38(51)30-15-16-30)44(53)49-23-5-9-36(49)42-46-26-39(55-42)31-17-11-28(12-18-31)29-13-19-32(20-14-29)40-27-47-43(56-40)37-10-6-24-50(37)45(54)35(8-4-2)48-41(52)33-21-22-33;1-3-26(23-36(49)29-13-14-29)42(51)47-21-5-7-34(47)40-44-24-37(53-40)30-15-9-27(10-16-30)28-11-17-31(18-12-28)38-25-45-41(54-38)35-8-6-22-48(35)43(52)33(4-2)46-39(50)32-19-20-32/h13-16,19-22,28-29,32,35-39H,3-12,17-18,23-27H2,1-2H3,(H,50,54);11-14,17-20,26-27,30,33-37H,3-10,15-16,21-25H2,1-2H3,(H,48,52);9-12,15-18,24-26,29,32-35H,3-8,13-14,19-23H2,1-2H3,(H,46,50)/t36-,37+,38-,39-;34-,35+,36-,37-;26?,33-,34+,35+/m001/s1
InChIKeyKAKSMMROEWGCDO-FPWYFZNSSA-N
XLogP28.22
TPSA337.71 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds48
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002376.25
LogP ≤ 528.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Analyze N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-4-cyclopropyl-2-ethyl-4-oxobutanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]cyclopropanecarboxamide;N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(2-cyclopropyl-2-oxoethyl)hexanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxohexan-2-yl]cyclopropanecarboxamide;N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(2-cyclopropyl-2-oxoethyl)pentanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxopentan-2-yl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-4-cyclopropyl-2-ethyl-4-oxobutanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]cyclopropanecarboxamide;N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(2-cyclopropyl-2-oxoethyl)hexanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxohexan-2-yl]cyclopropanecarboxamide;N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(2-cyclopropyl-2-oxoethyl)pentanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxopentan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-4-cyclopropyl-2-ethyl-4-oxobutanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]cyclopropanecarboxamide;N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(2-cyclopropyl-2-oxoethyl)hexanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxohexan-2-yl]cyclopropanecarboxamide;N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(2-cyclopropyl-2-oxoethyl)pentanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxopentan-2-yl]cyclopropanecarboxamide (CID 159077437) is N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-4-cyclopropyl-2-ethyl-4-oxobutanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]cyclopropanecarboxamide;N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(2-cyclopropyl-2-oxoethyl)hexanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxohexan-2-yl]cyclopropanecarboxamide;N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(2-cyclopropyl-2-oxoethyl)pentanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxopentan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-4-cyclopropyl-2-ethyl-4-oxobutanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]cyclopropanecarboxamide;N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(2-cyclopropyl-2-oxoethyl)hexanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxohexan-2-yl]cyclopropanecarboxamide;N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(2-cyclopropyl-2-oxoethyl)pentanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxopentan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-4-cyclopropyl-2-ethyl-4-oxobutanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]cyclopropanecarboxamide;N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(2-cyclopropyl-2-oxoethyl)hexanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxohexan-2-yl]cyclopropanecarboxamide;N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(2-cyclopropyl-2-oxoethyl)pentanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxopentan-2-yl]cyclopropanecarboxamide is CCC(CC(=O)C1CC1)C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](CC)NC(=O)C5CC5)s4)cc3)cc2)s1.CCCC[C@@H](CC(=O)C1CC1)C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](CCCC)NC(=O)C5CC5)s4)cc3)cc2)s1.CCC[C@@H](CC(=O)C1CC1)C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](CCC)NC(=O)C5CC5)s4)cc3)cc2)s1.
What is the InChIKey of N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-4-cyclopropyl-2-ethyl-4-oxobutanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]cyclopropanecarboxamide;N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(2-cyclopropyl-2-oxoethyl)hexanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxohexan-2-yl]cyclopropanecarboxamide;N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(2-cyclopropyl-2-oxoethyl)pentanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxopentan-2-yl]cyclopropanecarboxamide?
The InChIKey is KAKSMMROEWGCDO-FPWYFZNSSA-N. The full InChI is InChI=1S/C47H57N5O4S2.C45H53N5O4S2.C43H49N5O4S2/c1-3-5-9-36(27-40(53)32-17-18-32)46(55)51-25-7-11-38(51)44-48-28-41(57-44)33-19-13-30(14-20-33)31-15-21-34(22-16-31)42-29-49-45(58-42)39-12-8-26-52(39)47(56)37(10-6-4-2)50-43(54)35-23-24-35;1-3-7-34(25-38(51)30-15-16-30)44(53)49-23-5-9-36(49)42-46-26-39(55-42)31-17-11-28(12-18-31)29-13-19-32(20-14-29)40-27-47-43(56-40)37-10-6-24-50(37)45(54)35(8-4-2)48-41(52)33-21-22-33;1-3-26(23-36(49)29-13-14-29)42(51)47-21-5-7-34(47)40-44-24-37(53-40)30-15-9-27(10-16-30)28-11-17-31(18-12-28)38-25-45-41(54-38)35-8-6-22-48(35)43(52)33(4-2)46-39(50)32-19-20-32/h13-16,19-22,28-29,32,35-39H,3-12,17-18,23-27H2,1-2H3,(H,50,54);11-14,17-20,26-27,30,33-37H,3-10,15-16,21-25H2,1-2H3,(H,48,52);9-12,15-18,24-26,29,32-35H,3-8,13-14,19-23H2,1-2H3,(H,46,50)/t36-,37+,38-,39-;34-,35+,36-,37-;26?,33-,34+,35+/m001/s1.
What are the key properties of N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-4-cyclopropyl-2-ethyl-4-oxobutanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]cyclopropanecarboxamide;N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(2-cyclopropyl-2-oxoethyl)hexanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxohexan-2-yl]cyclopropanecarboxamide;N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(2-cyclopropyl-2-oxoethyl)pentanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxopentan-2-yl]cyclopropanecarboxamide?
N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-4-cyclopropyl-2-ethyl-4-oxobutanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]cyclopropanecarboxamide;N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(2-cyclopropyl-2-oxoethyl)hexanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxohexan-2-yl]cyclopropanecarboxamide;N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(2-cyclopropyl-2-oxoethyl)pentanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxopentan-2-yl]cyclopropanecarboxamide has a molecular weight of 2376.25 g/mol, XLogP of 28.22, 48 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-4-cyclopropyl-2-ethyl-4-oxobutanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]cyclopropanecarboxamide;N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(2-cyclopropyl-2-oxoethyl)hexanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxohexan-2-yl]cyclopropanecarboxamide;N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(2-cyclopropyl-2-oxoethyl)pentanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxopentan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 159077437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).