(2R)-2-[(3S,4S)-3-[[4-[benzylcarbamoyl-(2-methylcyclopropyl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-[2-(4-nitrophenyl)ethoxycarbonyl]amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-[(4-nitrophenyl)methylcarbamoyl]amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-(3-phenylpropanoyl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid

C146H200N16O17 — CID 158421209

IUPAC(2R)-2-[(3S,4S)-3-[[4-[benzylcarbamoyl-(2-methylcyclopropyl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-[2-(4-nitrophenyl)ethoxycarbonyl]amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-[(4-nitrophenyl)methylcarbamoyl]amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-(3-phenylpropanoyl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid
SMILESCC1CC1N(C(=O)CCc1ccccc1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1.CC1CC1N(C(=O)NCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1.CC1CC1N(C(=O)NCc1ccccc1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1.CC1CC1N(C(=O)OCCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C37H50N4O6.C37H51N3O3.C36H49N5O5.C36H50N4O3/c1-26-22-34(26)40(37(44)47-21-18-27-12-14-32(15-13-27)41(45)46)31-16-19-38(20-17-31)23-30-24-39(25-33(30)28-8-4-2-5-9-28)35(36(42)43)29-10-6-3-7-11-29;1-27-23-34(27)40(35(41)18-17-28-11-5-2-6-12-28)32-19-21-38(22-20-32)24-31-25-39(26-33(31)29-13-7-3-8-14-29)36(37(42)43)30-15-9-4-10-16-30;1-25-20-33(25)40(36(44)37-21-26-12-14-31(15-13-26)41(45)46)30-16-18-38(19-17-30)22-29-23-39(24-32(29)27-8-4-2-5-9-27)34(35(42)43)28-10-6-3-7-11-28;1-26-21-33(26)40(36(43)37-22-27-11-5-2-6-12-27)31-17-19-38(20-18-31)23-30-24-39(25-32(30)28-13-7-3-8-14-28)34(35(41)42)29-15-9-4-10-16-29/h2,4-5,8-9,12-15,26,29-31,33-35H,3,6-7,10-11,16-25H2,1H3,(H,42,43);2-3,5-8,11-14,27,30-34,36H,4,9-10,15-26H2,1H3,(H,42,43);2,4-5,8-9,12-15,25,28-30,32-34H,3,6-7,10-11,16-24H2,1H3,(H,37,44)(H,42,43);2-3,5-8,11-14,26,29-34H,4,9-10,15-25H2,1H3,(H,37,43)(H,41,42)/t26?,30-,33+,34?,35+;27?,31-,33+,34?,36+;25?,29-,32+,33?,34+;26?,30-,32+,33?,34+/m0000/s1
InChIKeyWGICPUPZFVADME-UYDYNHLESA-N
MW2451.30 g/mol
LogP23.82
Rot. Bonds44

About (2R)-2-[(3S,4S)-3-[[4-[benzylcarbamoyl-(2-methylcyclopropyl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-[2-(4-nitrophenyl)ethoxycarbonyl]amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-[(4-nitrophenyl)methylcarbamoyl]amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-(3-phenylpropanoyl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid

(2R)-2-[(3S,4S)-3-[[4-[benzylcarbamoyl-(2-methylcyclopropyl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-[2-(4-nitrophenyl)ethoxycarbonyl]amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-[(4-nitrophenyl)methylcarbamoyl]amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-(3-phenylpropanoyl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid (PubChem CID 158421209) has the molecular formula C146H200N16O17 and a molecular weight of 2451.30 g/mol. Its IUPAC name is (2R)-2-[(3S,4S)-3-[[4-[benzylcarbamoyl-(2-methylcyclopropyl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-[2-(4-nitrophenyl)ethoxycarbonyl]amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-[(4-nitrophenyl)methylcarbamoyl]amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-(3-phenylpropanoyl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name(2R)-2-[(3S,4S)-3-[[4-[benzylcarbamoyl-(2-methylcyclopropyl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-[2-(4-nitrophenyl)ethoxycarbonyl]amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-[(4-nitrophenyl)methylcarbamoyl]amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-(3-phenylpropanoyl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid
PubChem CID158421209
Molecular FormulaC146H200N16O17
Molecular Weight2451.30 g/mol
Exact Mass2449.53
IUPAC Name(2R)-2-[(3S,4S)-3-[[4-[benzylcarbamoyl-(2-methylcyclopropyl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-[2-(4-nitrophenyl)ethoxycarbonyl]amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-[(4-nitrophenyl)methylcarbamoyl]amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-(3-phenylpropanoyl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid
SMILESCC1CC1N(C(=O)CCc1ccccc1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1.CC1CC1N(C(=O)NCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1.CC1CC1N(C(=O)NCc1ccccc1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1.CC1CC1N(C(=O)OCCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C37H50N4O6.C37H51N3O3.C36H49N5O5.C36H50N4O3/c1-26-22-34(26)40(37(44)47-21-18-27-12-14-32(15-13-27)41(45)46)31-16-19-38(20-17-31)23-30-24-39(25-33(30)28-8-4-2-5-9-28)35(36(42)43)29-10-6-3-7-11-29;1-27-23-34(27)40(35(41)18-17-28-11-5-2-6-12-28)32-19-21-38(22-20-32)24-31-25-39(26-33(31)29-13-7-3-8-14-29)36(37(42)43)30-15-9-4-10-16-30;1-25-20-33(25)40(36(44)37-21-26-12-14-31(15-13-26)41(45)46)30-16-18-38(19-17-30)22-29-23-39(24-32(29)27-8-4-2-5-9-27)34(35(42)43)28-10-6-3-7-11-28;1-26-21-33(26)40(36(43)37-22-27-11-5-2-6-12-27)31-17-19-38(20-18-31)23-30-24-39(25-32(30)28-13-7-3-8-14-28)34(35(41)42)29-15-9-4-10-16-29/h2,4-5,8-9,12-15,26,29-31,33-35H,3,6-7,10-11,16-25H2,1H3,(H,42,43);2-3,5-8,11-14,27,30-34,36H,4,9-10,15-26H2,1H3,(H,42,43);2,4-5,8-9,12-15,25,28-30,32-34H,3,6-7,10-11,16-24H2,1H3,(H,37,44)(H,42,43);2-3,5-8,11-14,26,29-34H,4,9-10,15-25H2,1H3,(H,37,43)(H,41,42)/t26?,30-,33+,34?,35+;27?,31-,33+,34?,36+;25?,29-,32+,33?,34+;26?,30-,32+,33?,34+/m0000/s1
InChIKeyWGICPUPZFVADME-UYDYNHLESA-N
XLogP23.82
TPSA375.93 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds44
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002451.30
LogP ≤ 523.82
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-2-[(3S,4S)-3-[[4-[benzylcarbamoyl-(2-methylcyclopropyl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-[2-(4-nitrophenyl)ethoxycarbonyl]amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-[(4-nitrophenyl)methylcarbamoyl]amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-(3-phenylpropanoyl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(3S,4S)-3-[[4-[benzylcarbamoyl(prop-2-enyl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[2-(4-nitrophenyl)ethoxycarbonyl-prop-2-enylamino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(4-nitrophenyl)methylcarbamoyl-prop-2-enylamino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[3-phenylpropanoyl(prop-2-enyl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid
CID 158881626
2-cyclohexyl-2-[3-[[4-[2-(4-nitrophenyl)ethoxycarbonyl-propylamino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid
CID 21341214
(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[ethyl(2-phenylethoxycarbonyl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid
CID 59895060
(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[cyclopropylmethyl-[3-(4-nitrophenyl)propanoyl]amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid
CID 159126666
(2R)-2-[(3S,4S)-3-[[4-[butyl(2-phenylethoxycarbonyl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid
CID 59895022
(2R)-2-cyclohexyl-2-[(3S)-3-phenylpyrrolidin-1-yl]acetic acid;2-phenylethyl N-(2-methylcyclopropyl)-N-(1-methylpiperidin-4-yl)carbamate
CID 142021472
2-cyclohexyl-2-[3-[[4-[ethyl-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid
CID 22458244
(2R)-2-[(3S,4S)-3-[[4-[(4-cyanophenyl)methylcarbamoyl-methylamino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid
CID 59895070
(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(3,4-difluorophenyl)methylcarbamoyl-(2-phenylethyl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid
CID 59894965
benzyl N-(2-methylcyclopropyl)-N-(1-methylpiperidin-4-yl)carbamate;(2R)-2-cyclohexyl-2-(3-phenylpyrrolidin-1-yl)acetic acid
CID 142021412
2-cyclohexyl-2-[3-[[4-[[2-(3,4-difluorophenyl)acetyl]-ethylamino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid
CID 22458292
2-cyclohexyl-2-[3-[[4-[(5-methyl-1H-1,2,4-triazol-3-yl)-(2-phenylethyl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid
CID 18342595

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3S,4S)-3-[[4-[benzylcarbamoyl-(2-methylcyclopropyl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-[2-(4-nitrophenyl)ethoxycarbonyl]amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-[(4-nitrophenyl)methylcarbamoyl]amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-(3-phenylpropanoyl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid?
The IUPAC name of (2R)-2-[(3S,4S)-3-[[4-[benzylcarbamoyl-(2-methylcyclopropyl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-[2-(4-nitrophenyl)ethoxycarbonyl]amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-[(4-nitrophenyl)methylcarbamoyl]amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-(3-phenylpropanoyl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid (CID 158421209) is (2R)-2-[(3S,4S)-3-[[4-[benzylcarbamoyl-(2-methylcyclopropyl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-[2-(4-nitrophenyl)ethoxycarbonyl]amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-[(4-nitrophenyl)methylcarbamoyl]amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-(3-phenylpropanoyl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid.
What is the SMILES notation for (2R)-2-[(3S,4S)-3-[[4-[benzylcarbamoyl-(2-methylcyclopropyl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-[2-(4-nitrophenyl)ethoxycarbonyl]amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-[(4-nitrophenyl)methylcarbamoyl]amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-(3-phenylpropanoyl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid?
The canonical SMILES for (2R)-2-[(3S,4S)-3-[[4-[benzylcarbamoyl-(2-methylcyclopropyl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-[2-(4-nitrophenyl)ethoxycarbonyl]amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-[(4-nitrophenyl)methylcarbamoyl]amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-(3-phenylpropanoyl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid is CC1CC1N(C(=O)CCc1ccccc1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1.CC1CC1N(C(=O)NCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1.CC1CC1N(C(=O)NCc1ccccc1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1.CC1CC1N(C(=O)OCCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1.
What is the InChIKey of (2R)-2-[(3S,4S)-3-[[4-[benzylcarbamoyl-(2-methylcyclopropyl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-[2-(4-nitrophenyl)ethoxycarbonyl]amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-[(4-nitrophenyl)methylcarbamoyl]amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-(3-phenylpropanoyl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid?
The InChIKey is WGICPUPZFVADME-UYDYNHLESA-N. The full InChI is InChI=1S/C37H50N4O6.C37H51N3O3.C36H49N5O5.C36H50N4O3/c1-26-22-34(26)40(37(44)47-21-18-27-12-14-32(15-13-27)41(45)46)31-16-19-38(20-17-31)23-30-24-39(25-33(30)28-8-4-2-5-9-28)35(36(42)43)29-10-6-3-7-11-29;1-27-23-34(27)40(35(41)18-17-28-11-5-2-6-12-28)32-19-21-38(22-20-32)24-31-25-39(26-33(31)29-13-7-3-8-14-29)36(37(42)43)30-15-9-4-10-16-30;1-25-20-33(25)40(36(44)37-21-26-12-14-31(15-13-26)41(45)46)30-16-18-38(19-17-30)22-29-23-39(24-32(29)27-8-4-2-5-9-27)34(35(42)43)28-10-6-3-7-11-28;1-26-21-33(26)40(36(43)37-22-27-11-5-2-6-12-27)31-17-19-38(20-18-31)23-30-24-39(25-32(30)28-13-7-3-8-14-28)34(35(41)42)29-15-9-4-10-16-29/h2,4-5,8-9,12-15,26,29-31,33-35H,3,6-7,10-11,16-25H2,1H3,(H,42,43);2-3,5-8,11-14,27,30-34,36H,4,9-10,15-26H2,1H3,(H,42,43);2,4-5,8-9,12-15,25,28-30,32-34H,3,6-7,10-11,16-24H2,1H3,(H,37,44)(H,42,43);2-3,5-8,11-14,26,29-34H,4,9-10,15-25H2,1H3,(H,37,43)(H,41,42)/t26?,30-,33+,34?,35+;27?,31-,33+,34?,36+;25?,29-,32+,33?,34+;26?,30-,32+,33?,34+/m0000/s1.
What are the key properties of (2R)-2-[(3S,4S)-3-[[4-[benzylcarbamoyl-(2-methylcyclopropyl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-[2-(4-nitrophenyl)ethoxycarbonyl]amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-[(4-nitrophenyl)methylcarbamoyl]amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-(3-phenylpropanoyl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid?
(2R)-2-[(3S,4S)-3-[[4-[benzylcarbamoyl-(2-methylcyclopropyl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-[2-(4-nitrophenyl)ethoxycarbonyl]amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-[(4-nitrophenyl)methylcarbamoyl]amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-(3-phenylpropanoyl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid has a molecular weight of 2451.30 g/mol, XLogP of 23.82, 44 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3S,4S)-3-[[4-[benzylcarbamoyl-(2-methylcyclopropyl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-[2-(4-nitrophenyl)ethoxycarbonyl]amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-[(4-nitrophenyl)methylcarbamoyl]amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(2-methylcyclopropyl)-(3-phenylpropanoyl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 158421209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).