(2S)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enylamino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)-3-oxopropyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-oxo-3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-(3-phenylpropanoyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]-3-methylbutanoic acid

C165H216F2N14O21 — CID 160841075

IUPAC(2S)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enylamino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)-3-oxopropyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-oxo-3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-(3-phenylpropanoyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]-3-methylbutanoic acid
SMILESC=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1.C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN([C@@H](CC3CCC3)C(=O)O)C[C@@H]2c2ccccc2)CC1.O=C(CCC1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1)c1ccc(F)cc1.O=C(CCC1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1)c1ccccc1.O=C(CCc1ccccc1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C34H44N4O6.C33H43FN2O3.2C33H44N2O3.C32H41FN4O6/c1-2-17-37(34(41)44-24-26-11-13-30(14-12-26)38(42)43)29-15-18-35(19-16-29)21-28-22-36(23-31(28)27-9-4-3-5-10-27)32(33(39)40)20-25-7-6-8-25;34-29-14-12-26(13-15-29)31(37)16-11-24-17-19-35(20-18-24)21-28-22-36(23-30(28)25-7-3-1-4-8-25)32(33(38)39)27-9-5-2-6-10-27;36-31(27-12-6-2-7-13-27)17-16-25-18-20-34(21-19-25)22-29-23-35(24-30(29)26-10-4-1-5-11-26)32(33(37)38)28-14-8-3-9-15-28;36-31(17-16-25-10-4-1-5-11-25)27-18-20-34(21-19-27)22-29-23-35(24-30(29)26-12-6-2-7-13-26)32(33(37)38)28-14-8-3-9-15-28;1-4-14-36(32(40)43-21-23-8-10-28(11-9-23)37(41)42)27-12-15-34(16-13-27)18-25-19-35(30(22(2)3)31(38)39)20-29(25)24-6-5-7-26(33)17-24/h2-5,9-14,25,28-29,31-32H,1,6-8,15-24H2,(H,39,40);1,3-4,7-8,12-15,24,27-28,30,32H,2,5-6,9-11,16-23H2,(H,38,39);1-2,4-7,10-13,25,28-30,32H,3,8-9,14-24H2,(H,37,38);1-2,4-7,10-13,27-30,32H,3,8-9,14-24H2,(H,37,38);4-11,17,22,25,27,29-30H,1,12-16,18-21H2,2-3H3,(H,38,39)/t28-,31+,32-;28-,30+,32+;2*29-,30+,32+;25-,29+,30+/m00000/s1
InChIKeyBPYFMKBHEVDZHN-QWEOMAGASA-N
MW2769.62 g/mol
LogP28.70
Rot. Bonds55

About (2S)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enylamino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)-3-oxopropyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-oxo-3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-(3-phenylpropanoyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]-3-methylbutanoic acid

(2S)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enylamino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)-3-oxopropyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-oxo-3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-(3-phenylpropanoyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]-3-methylbutanoic acid (PubChem CID 160841075) has the molecular formula C165H216F2N14O21 and a molecular weight of 2769.62 g/mol. Its IUPAC name is (2S)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enylamino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)-3-oxopropyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-oxo-3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-(3-phenylpropanoyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enylamino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)-3-oxopropyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-oxo-3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-(3-phenylpropanoyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]-3-methylbutanoic acid
PubChem CID160841075
Molecular FormulaC165H216F2N14O21
Molecular Weight2769.62 g/mol
Exact Mass2767.62
IUPAC Name(2S)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enylamino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)-3-oxopropyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-oxo-3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-(3-phenylpropanoyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]-3-methylbutanoic acid
SMILESC=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1.C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN([C@@H](CC3CCC3)C(=O)O)C[C@@H]2c2ccccc2)CC1.O=C(CCC1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1)c1ccc(F)cc1.O=C(CCC1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1)c1ccccc1.O=C(CCc1ccccc1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C34H44N4O6.C33H43FN2O3.2C33H44N2O3.C32H41FN4O6/c1-2-17-37(34(41)44-24-26-11-13-30(14-12-26)38(42)43)29-15-18-35(19-16-29)21-28-22-36(23-31(28)27-9-4-3-5-10-27)32(33(39)40)20-25-7-6-8-25;34-29-14-12-26(13-15-29)31(37)16-11-24-17-19-35(20-18-24)21-28-22-36(23-30(28)25-7-3-1-4-8-25)32(33(38)39)27-9-5-2-6-10-27;36-31(27-12-6-2-7-13-27)17-16-25-18-20-34(21-19-25)22-29-23-35(24-30(29)26-10-4-1-5-11-26)32(33(37)38)28-14-8-3-9-15-28;36-31(17-16-25-10-4-1-5-11-25)27-18-20-34(21-19-27)22-29-23-35(24-30(29)26-12-6-2-7-13-26)32(33(37)38)28-14-8-3-9-15-28;1-4-14-36(32(40)43-21-23-8-10-28(11-9-23)37(41)42)27-12-15-34(16-13-27)18-25-19-35(30(22(2)3)31(38)39)20-29(25)24-6-5-7-26(33)17-24/h2-5,9-14,25,28-29,31-32H,1,6-8,15-24H2,(H,39,40);1,3-4,7-8,12-15,24,27-28,30,32H,2,5-6,9-11,16-23H2,(H,38,39);1-2,4-7,10-13,25,28-30,32H,3,8-9,14-24H2,(H,37,38);1-2,4-7,10-13,27-30,32H,3,8-9,14-24H2,(H,37,38);4-11,17,22,25,27,29-30H,1,12-16,18-21H2,2-3H3,(H,38,39)/t28-,31+,32-;28-,30+,32+;2*29-,30+,32+;25-,29+,30+/m00000/s1
InChIKeyBPYFMKBHEVDZHN-QWEOMAGASA-N
XLogP28.70
TPSA415.47 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds55
Heavy Atoms202
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002769.62
LogP ≤ 528.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze (2S)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enylamino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)-3-oxopropyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-oxo-3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-(3-phenylpropanoyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]-3-methylbutanoic 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

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enylamino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)-3-oxopropyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-oxo-3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-(3-phenylpropanoyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]-3-methylbutanoic acid?
The IUPAC name of (2S)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enylamino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)-3-oxopropyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-oxo-3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-(3-phenylpropanoyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]-3-methylbutanoic acid (CID 160841075) is (2S)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enylamino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)-3-oxopropyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-oxo-3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-(3-phenylpropanoyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]-3-methylbutanoic acid.
What is the SMILES notation for (2S)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enylamino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)-3-oxopropyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-oxo-3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-(3-phenylpropanoyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]-3-methylbutanoic acid?
The canonical SMILES for (2S)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enylamino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)-3-oxopropyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-oxo-3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-(3-phenylpropanoyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]-3-methylbutanoic acid is C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1.C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN([C@@H](CC3CCC3)C(=O)O)C[C@@H]2c2ccccc2)CC1.O=C(CCC1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1)c1ccc(F)cc1.O=C(CCC1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1)c1ccccc1.O=C(CCc1ccccc1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1.
What is the InChIKey of (2S)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enylamino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)-3-oxopropyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-oxo-3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-(3-phenylpropanoyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]-3-methylbutanoic acid?
The InChIKey is BPYFMKBHEVDZHN-QWEOMAGASA-N. The full InChI is InChI=1S/C34H44N4O6.C33H43FN2O3.2C33H44N2O3.C32H41FN4O6/c1-2-17-37(34(41)44-24-26-11-13-30(14-12-26)38(42)43)29-15-18-35(19-16-29)21-28-22-36(23-31(28)27-9-4-3-5-10-27)32(33(39)40)20-25-7-6-8-25;34-29-14-12-26(13-15-29)31(37)16-11-24-17-19-35(20-18-24)21-28-22-36(23-30(28)25-7-3-1-4-8-25)32(33(38)39)27-9-5-2-6-10-27;36-31(27-12-6-2-7-13-27)17-16-25-18-20-34(21-19-25)22-29-23-35(24-30(29)26-10-4-1-5-11-26)32(33(37)38)28-14-8-3-9-15-28;36-31(17-16-25-10-4-1-5-11-25)27-18-20-34(21-19-27)22-29-23-35(24-30(29)26-12-6-2-7-13-26)32(33(37)38)28-14-8-3-9-15-28;1-4-14-36(32(40)43-21-23-8-10-28(11-9-23)37(41)42)27-12-15-34(16-13-27)18-25-19-35(30(22(2)3)31(38)39)20-29(25)24-6-5-7-26(33)17-24/h2-5,9-14,25,28-29,31-32H,1,6-8,15-24H2,(H,39,40);1,3-4,7-8,12-15,24,27-28,30,32H,2,5-6,9-11,16-23H2,(H,38,39);1-2,4-7,10-13,25,28-30,32H,3,8-9,14-24H2,(H,37,38);1-2,4-7,10-13,27-30,32H,3,8-9,14-24H2,(H,37,38);4-11,17,22,25,27,29-30H,1,12-16,18-21H2,2-3H3,(H,38,39)/t28-,31+,32-;28-,30+,32+;2*29-,30+,32+;25-,29+,30+/m00000/s1.
What are the key properties of (2S)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enylamino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)-3-oxopropyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-oxo-3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-(3-phenylpropanoyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]-3-methylbutanoic acid?
(2S)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enylamino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)-3-oxopropyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-oxo-3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-(3-phenylpropanoyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]-3-methylbutanoic acid has a molecular weight of 2769.62 g/mol, XLogP of 28.70, 55 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enylamino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)-3-oxopropyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-oxo-3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-(3-phenylpropanoyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]-3-methylbutanoic acid is sourced from PubChem (CID 160841075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).