2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-3-(4-chlorophenyl)propanoic acid;2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-2-(4-methylphenyl)acetic acid;(2S)-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-3-pyridin-3-ylpropanoic acid;1-[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]pyrrolidine-2,5-dicarboxylic acid

C172H196ClN17O22S4 — CID 158911534

IUPAC2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-3-(4-chlorophenyl)propanoic acid;2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-2-(4-methylphenyl)acetic acid;(2S)-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-3-pyridin-3-ylpropanoic acid;1-[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]pyrrolidine-2,5-dicarboxylic acid
SMILESCCCCCCCOc1ccc(-c2cnc(-c3ccc(C[C@H](NC(=O)c4ccc(C(C)(C)C)s4)C(=O)N4C(C(=O)O)CCC4C(=O)O)cc3)nc2)cc1.CCCCCCCOc1ccc(-c2cnc(-c3ccc(C[C@H](NC(=O)c4ccc(C(C)(C)C)s4)C(=O)NC(C(=O)O)c4ccc(C)cc4)cc3)nc2)cc1.CCCCCCCOc1ccc(-c2cnc(-c3ccc(C[C@H](NC(=O)c4ccc(C(C)(C)C)s4)C(=O)NC(Cc4ccc(Cl)cc4)C(=O)O)cc3)nc2)cc1.CCCCCCCOc1ccc(-c2cnc(-c3ccc(C[C@H](NC(=O)c4ccc(C(C)(C)C)s4)C(=O)N[C@@H](Cc4cccnc4)C(=O)O)cc3)nc2)cc1
InChIInChI=1S/C44H49ClN4O5S.C44H50N4O5S.C43H49N5O5S.C41H48N4O7S/c1-5-6-7-8-9-24-54-35-20-16-31(17-21-35)33-27-46-40(47-28-33)32-14-10-29(11-15-32)25-36(48-42(51)38-22-23-39(55-38)44(2,3)4)41(50)49-37(43(52)53)26-30-12-18-34(45)19-13-30;1-6-7-8-9-10-25-53-35-21-19-31(20-22-35)34-27-45-40(46-28-34)33-17-13-30(14-18-33)26-36(47-42(50)37-23-24-38(54-37)44(3,4)5)41(49)48-39(43(51)52)32-15-11-29(2)12-16-32;1-5-6-7-8-9-23-53-34-18-16-31(17-19-34)33-27-45-39(46-28-33)32-14-12-29(13-15-32)24-35(47-41(50)37-20-21-38(54-37)43(2,3)4)40(49)48-36(42(51)52)25-30-11-10-22-44-26-30;1-5-6-7-8-9-22-52-30-16-14-27(15-17-30)29-24-42-36(43-25-29)28-12-10-26(11-13-28)23-31(44-37(46)34-20-21-35(53-34)41(2,3)4)38(47)45-32(39(48)49)18-19-33(45)40(50)51/h10-23,27-28,36-37H,5-9,24-26H2,1-4H3,(H,48,51)(H,49,50)(H,52,53);11-24,27-28,36,39H,6-10,25-26H2,1-5H3,(H,47,50)(H,48,49)(H,51,52);10-22,26-28,35-36H,5-9,23-25H2,1-4H3,(H,47,50)(H,48,49)(H,51,52);10-17,20-21,24-25,31-33H,5-9,18-19,22-23H2,1-4H3,(H,44,46)(H,48,49)(H,50,51)/t36-,37?;36-,39?;35-,36-;31-,32?,33?/m0000/s1
InChIKeyJGSDCIWRZIUGQL-IZCRNNAKSA-N
MW3017.28 g/mol
LogP33.89
Rot. Bonds69

About 2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-3-(4-chlorophenyl)propanoic acid;2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-2-(4-methylphenyl)acetic acid;(2S)-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-3-pyridin-3-ylpropanoic acid;1-[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]pyrrolidine-2,5-dicarboxylic acid

2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-3-(4-chlorophenyl)propanoic acid;2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-2-(4-methylphenyl)acetic acid;(2S)-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-3-pyridin-3-ylpropanoic acid;1-[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]pyrrolidine-2,5-dicarboxylic acid (PubChem CID 158911534) has the molecular formula C172H196ClN17O22S4 and a molecular weight of 3017.28 g/mol. Its IUPAC name is 2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-3-(4-chlorophenyl)propanoic acid;2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-2-(4-methylphenyl)acetic acid;(2S)-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-3-pyridin-3-ylpropanoic acid;1-[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]pyrrolidine-2,5-dicarboxylic acid.

Molecular Properties

Compound Name2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-3-(4-chlorophenyl)propanoic acid;2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-2-(4-methylphenyl)acetic acid;(2S)-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-3-pyridin-3-ylpropanoic acid;1-[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]pyrrolidine-2,5-dicarboxylic acid
PubChem CID158911534
Molecular FormulaC172H196ClN17O22S4
Molecular Weight3017.28 g/mol
Exact Mass3014.33
IUPAC Name2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-3-(4-chlorophenyl)propanoic acid;2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-2-(4-methylphenyl)acetic acid;(2S)-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-3-pyridin-3-ylpropanoic acid;1-[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]pyrrolidine-2,5-dicarboxylic acid
SMILESCCCCCCCOc1ccc(-c2cnc(-c3ccc(C[C@H](NC(=O)c4ccc(C(C)(C)C)s4)C(=O)N4C(C(=O)O)CCC4C(=O)O)cc3)nc2)cc1.CCCCCCCOc1ccc(-c2cnc(-c3ccc(C[C@H](NC(=O)c4ccc(C(C)(C)C)s4)C(=O)NC(C(=O)O)c4ccc(C)cc4)cc3)nc2)cc1.CCCCCCCOc1ccc(-c2cnc(-c3ccc(C[C@H](NC(=O)c4ccc(C(C)(C)C)s4)C(=O)NC(Cc4ccc(Cl)cc4)C(=O)O)cc3)nc2)cc1.CCCCCCCOc1ccc(-c2cnc(-c3ccc(C[C@H](NC(=O)c4ccc(C(C)(C)C)s4)C(=O)N[C@@H](Cc4cccnc4)C(=O)O)cc3)nc2)cc1
InChIInChI=1S/C44H49ClN4O5S.C44H50N4O5S.C43H49N5O5S.C41H48N4O7S/c1-5-6-7-8-9-24-54-35-20-16-31(17-21-35)33-27-46-40(47-28-33)32-14-10-29(11-15-32)25-36(48-42(51)38-22-23-39(55-38)44(2,3)4)41(50)49-37(43(52)53)26-30-12-18-34(45)19-13-30;1-6-7-8-9-10-25-53-35-21-19-31(20-22-35)34-27-45-40(46-28-34)33-17-13-30(14-18-33)26-36(47-42(50)37-23-24-38(54-37)44(3,4)5)41(49)48-39(43(51)52)32-15-11-29(2)12-16-32;1-5-6-7-8-9-23-53-34-18-16-31(17-19-34)33-27-45-39(46-28-33)32-14-12-29(13-15-32)24-35(47-41(50)37-20-21-38(54-37)43(2,3)4)40(49)48-36(42(51)52)25-30-11-10-22-44-26-30;1-5-6-7-8-9-22-52-30-16-14-27(15-17-30)29-24-42-36(43-25-29)28-12-10-26(11-13-28)23-31(44-37(46)34-20-21-35(53-34)41(2,3)4)38(47)45-32(39(48)49)18-19-33(45)40(50)51/h10-23,27-28,36-37H,5-9,24-26H2,1-4H3,(H,48,51)(H,49,50)(H,52,53);11-24,27-28,36,39H,6-10,25-26H2,1-5H3,(H,47,50)(H,48,49)(H,51,52);10-22,26-28,35-36H,5-9,23-25H2,1-4H3,(H,47,50)(H,48,49)(H,51,52);10-17,20-21,24-25,31-33H,5-9,18-19,22-23H2,1-4H3,(H,44,46)(H,48,49)(H,50,51)/t36-,37?;36-,39?;35-,36-;31-,32?,33?/m0000/s1
InChIKeyJGSDCIWRZIUGQL-IZCRNNAKSA-N
XLogP33.89
TPSA563.44 Ų
H-Bond Donors12
H-Bond Acceptors30
Rotatable Bonds69
Heavy Atoms216
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003017.28
LogP ≤ 533.89
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-3-(4-chlorophenyl)propanoic acid;2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-2-(4-methylphenyl)acetic acid;(2S)-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-3-pyridin-3-ylpropanoic acid;1-[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]pyrrolidine-2,5-dicarboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-3-(4-chlorophenyl)propanoic acid;2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-2-(4-methylphenyl)acetic acid;(2S)-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-3-pyridin-3-ylpropanoic acid;1-[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]pyrrolidine-2,5-dicarboxylic acid?
The IUPAC name of 2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-3-(4-chlorophenyl)propanoic acid;2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-2-(4-methylphenyl)acetic acid;(2S)-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-3-pyridin-3-ylpropanoic acid;1-[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]pyrrolidine-2,5-dicarboxylic acid (CID 158911534) is 2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-3-(4-chlorophenyl)propanoic acid;2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-2-(4-methylphenyl)acetic acid;(2S)-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-3-pyridin-3-ylpropanoic acid;1-[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]pyrrolidine-2,5-dicarboxylic acid.
What is the SMILES notation for 2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-3-(4-chlorophenyl)propanoic acid;2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-2-(4-methylphenyl)acetic acid;(2S)-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-3-pyridin-3-ylpropanoic acid;1-[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]pyrrolidine-2,5-dicarboxylic acid?
The canonical SMILES for 2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-3-(4-chlorophenyl)propanoic acid;2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-2-(4-methylphenyl)acetic acid;(2S)-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-3-pyridin-3-ylpropanoic acid;1-[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]pyrrolidine-2,5-dicarboxylic acid is CCCCCCCOc1ccc(-c2cnc(-c3ccc(C[C@H](NC(=O)c4ccc(C(C)(C)C)s4)C(=O)N4C(C(=O)O)CCC4C(=O)O)cc3)nc2)cc1.CCCCCCCOc1ccc(-c2cnc(-c3ccc(C[C@H](NC(=O)c4ccc(C(C)(C)C)s4)C(=O)NC(C(=O)O)c4ccc(C)cc4)cc3)nc2)cc1.CCCCCCCOc1ccc(-c2cnc(-c3ccc(C[C@H](NC(=O)c4ccc(C(C)(C)C)s4)C(=O)NC(Cc4ccc(Cl)cc4)C(=O)O)cc3)nc2)cc1.CCCCCCCOc1ccc(-c2cnc(-c3ccc(C[C@H](NC(=O)c4ccc(C(C)(C)C)s4)C(=O)N[C@@H](Cc4cccnc4)C(=O)O)cc3)nc2)cc1.
What is the InChIKey of 2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-3-(4-chlorophenyl)propanoic acid;2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-2-(4-methylphenyl)acetic acid;(2S)-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-3-pyridin-3-ylpropanoic acid;1-[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]pyrrolidine-2,5-dicarboxylic acid?
The InChIKey is JGSDCIWRZIUGQL-IZCRNNAKSA-N. The full InChI is InChI=1S/C44H49ClN4O5S.C44H50N4O5S.C43H49N5O5S.C41H48N4O7S/c1-5-6-7-8-9-24-54-35-20-16-31(17-21-35)33-27-46-40(47-28-33)32-14-10-29(11-15-32)25-36(48-42(51)38-22-23-39(55-38)44(2,3)4)41(50)49-37(43(52)53)26-30-12-18-34(45)19-13-30;1-6-7-8-9-10-25-53-35-21-19-31(20-22-35)34-27-45-40(46-28-34)33-17-13-30(14-18-33)26-36(47-42(50)37-23-24-38(54-37)44(3,4)5)41(49)48-39(43(51)52)32-15-11-29(2)12-16-32;1-5-6-7-8-9-23-53-34-18-16-31(17-19-34)33-27-45-39(46-28-33)32-14-12-29(13-15-32)24-35(47-41(50)37-20-21-38(54-37)43(2,3)4)40(49)48-36(42(51)52)25-30-11-10-22-44-26-30;1-5-6-7-8-9-22-52-30-16-14-27(15-17-30)29-24-42-36(43-25-29)28-12-10-26(11-13-28)23-31(44-37(46)34-20-21-35(53-34)41(2,3)4)38(47)45-32(39(48)49)18-19-33(45)40(50)51/h10-23,27-28,36-37H,5-9,24-26H2,1-4H3,(H,48,51)(H,49,50)(H,52,53);11-24,27-28,36,39H,6-10,25-26H2,1-5H3,(H,47,50)(H,48,49)(H,51,52);10-22,26-28,35-36H,5-9,23-25H2,1-4H3,(H,47,50)(H,48,49)(H,51,52);10-17,20-21,24-25,31-33H,5-9,18-19,22-23H2,1-4H3,(H,44,46)(H,48,49)(H,50,51)/t36-,37?;36-,39?;35-,36-;31-,32?,33?/m0000/s1.
What are the key properties of 2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-3-(4-chlorophenyl)propanoic acid;2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-2-(4-methylphenyl)acetic acid;(2S)-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-3-pyridin-3-ylpropanoic acid;1-[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]pyrrolidine-2,5-dicarboxylic acid?
2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-3-(4-chlorophenyl)propanoic acid;2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-2-(4-methylphenyl)acetic acid;(2S)-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-3-pyridin-3-ylpropanoic acid;1-[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]pyrrolidine-2,5-dicarboxylic acid has a molecular weight of 3017.28 g/mol, XLogP of 33.89, 69 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-3-(4-chlorophenyl)propanoic acid;2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-2-(4-methylphenyl)acetic acid;(2S)-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]amino]-3-pyridin-3-ylpropanoic acid;1-[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoyl]pyrrolidine-2,5-dicarboxylic acid is sourced from PubChem (CID 158911534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).