5-tert-butyl-N-[(2S)-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]-1-oxo-1-(pyrrolidin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide;(2R)-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]propanoyl]amino]propanoic acid;3-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]propanoyl]amino]propanoic acid

C116H149N13O10S3 — CID 161458212

IUPAC5-tert-butyl-N-[(2S)-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]-1-oxo-1-(pyrrolidin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide;(2R)-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]propanoyl]amino]propanoic acid;3-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]propanoyl]amino]propanoic acid
SMILESCC1CCC(C2CC=C(c3cnc(-c4ccc(C[C@H](NC(=O)c5ccc(C(C)(C)C)s5)C(=O)NCC5CCNC5)cc4)nc3)CC2)CC1.CC1CCC(C2CC=C(c3cnc(-c4ccc(C[C@H](NC(=O)c5ccc(C(C)(C)C)s5)C(=O)NCCC(=O)O)cc4)nc3)CC2)CC1.CC1CCC(C2CC=C(c3cnc(-c4ccc(C[C@H](NC(=O)c5ccc(C(C)(C)C)s5)C(=O)N[C@H](C)C(=O)O)cc4)nc3)CC2)CC1
InChIInChI=1S/C40H53N5O2S.2C38H48N4O4S/c1-26-5-9-29(10-6-26)30-13-15-31(16-14-30)33-24-42-37(43-25-33)32-11-7-27(8-12-32)21-34(38(46)44-23-28-19-20-41-22-28)45-39(47)35-17-18-36(48-35)40(2,3)4;1-23-6-10-26(11-7-23)27-14-16-28(17-15-27)30-21-39-34(40-22-30)29-12-8-25(9-13-29)20-31(35(43)41-24(2)37(45)46)42-36(44)32-18-19-33(47-32)38(3,4)5;1-24-5-9-26(10-6-24)27-13-15-28(16-14-27)30-22-40-35(41-23-30)29-11-7-25(8-12-29)21-31(36(45)39-20-19-34(43)44)42-37(46)32-17-18-33(47-32)38(2,3)4/h7-8,11-12,15,17-18,24-26,28-30,34,41H,5-6,9-10,13-14,16,19-23H2,1-4H3,(H,44,46)(H,45,47);8-9,12-13,16,18-19,21-24,26-27,31H,6-7,10-11,14-15,17,20H2,1-5H3,(H,41,43)(H,42,44)(H,45,46);7-8,11-12,15,17-18,22-24,26-27,31H,5-6,9-10,13-14,16,19-21H2,1-4H3,(H,39,45)(H,42,46)(H,43,44)/t26?,28?,29?,30?,34-;23?,24-,26?,27?,31+;24?,26?,27?,31-/m010/s1
InChIKeyWBLGUUJRBFRYIR-WYMALJNKSA-N
MW1981.75 g/mol
LogP22.47
Rot. Bonds31

About 5-tert-butyl-N-[(2S)-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]-1-oxo-1-(pyrrolidin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide;(2R)-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]propanoyl]amino]propanoic acid;3-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]propanoyl]amino]propanoic acid

5-tert-butyl-N-[(2S)-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]-1-oxo-1-(pyrrolidin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide;(2R)-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]propanoyl]amino]propanoic acid;3-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]propanoyl]amino]propanoic acid (PubChem CID 161458212) has the molecular formula C116H149N13O10S3 and a molecular weight of 1981.75 g/mol. Its IUPAC name is 5-tert-butyl-N-[(2S)-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]-1-oxo-1-(pyrrolidin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide;(2R)-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]propanoyl]amino]propanoic acid;3-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name5-tert-butyl-N-[(2S)-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]-1-oxo-1-(pyrrolidin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide;(2R)-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]propanoyl]amino]propanoic acid;3-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]propanoyl]amino]propanoic acid
PubChem CID161458212
Molecular FormulaC116H149N13O10S3
Molecular Weight1981.75 g/mol
Exact Mass1980.07
IUPAC Name5-tert-butyl-N-[(2S)-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]-1-oxo-1-(pyrrolidin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide;(2R)-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]propanoyl]amino]propanoic acid;3-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]propanoyl]amino]propanoic acid
SMILESCC1CCC(C2CC=C(c3cnc(-c4ccc(C[C@H](NC(=O)c5ccc(C(C)(C)C)s5)C(=O)NCC5CCNC5)cc4)nc3)CC2)CC1.CC1CCC(C2CC=C(c3cnc(-c4ccc(C[C@H](NC(=O)c5ccc(C(C)(C)C)s5)C(=O)NCCC(=O)O)cc4)nc3)CC2)CC1.CC1CCC(C2CC=C(c3cnc(-c4ccc(C[C@H](NC(=O)c5ccc(C(C)(C)C)s5)C(=O)N[C@H](C)C(=O)O)cc4)nc3)CC2)CC1
InChIInChI=1S/C40H53N5O2S.2C38H48N4O4S/c1-26-5-9-29(10-6-26)30-13-15-31(16-14-30)33-24-42-37(43-25-33)32-11-7-27(8-12-32)21-34(38(46)44-23-28-19-20-41-22-28)45-39(47)35-17-18-36(48-35)40(2,3)4;1-23-6-10-26(11-7-23)27-14-16-28(17-15-27)30-21-39-34(40-22-30)29-12-8-25(9-13-29)20-31(35(43)41-24(2)37(45)46)42-36(44)32-18-19-33(47-32)38(3,4)5;1-24-5-9-26(10-6-24)27-13-15-28(16-14-27)30-22-40-35(41-23-30)29-11-7-25(8-12-29)21-31(36(45)39-20-19-34(43)44)42-37(46)32-17-18-33(47-32)38(2,3)4/h7-8,11-12,15,17-18,24-26,28-30,34,41H,5-6,9-10,13-14,16,19-23H2,1-4H3,(H,44,46)(H,45,47);8-9,12-13,16,18-19,21-24,26-27,31H,6-7,10-11,14-15,17,20H2,1-5H3,(H,41,43)(H,42,44)(H,45,46);7-8,11-12,15,17-18,22-24,26-27,31H,5-6,9-10,13-14,16,19-21H2,1-4H3,(H,39,45)(H,42,46)(H,43,44)/t26?,28?,29?,30?,34-;23?,24-,26?,27?,31+;24?,26?,27?,31-/m010/s1
InChIKeyWBLGUUJRBFRYIR-WYMALJNKSA-N
XLogP22.47
TPSA338.57 Ų
H-Bond Donors9
H-Bond Acceptors18
Rotatable Bonds31
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001981.75
LogP ≤ 522.47
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1018

Analyze 5-tert-butyl-N-[(2S)-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]-1-oxo-1-(pyrrolidin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide;(2R)-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]propanoyl]amino]propanoic acid;3-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]propanoyl]amino]propanoic acid with MolForge

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Related Compounds

1-[2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-[4-(2-methylpropyl)cyclohexyl]cyclohexen-1-yl]pyrimidin-2-yl]phenyl]propanoyl]azetidine-3-carboxylic acid
CID 122642360
(2R)-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4,4-dimethylcyclohexa-1,5-dien-1-yl)pyrimidin-2-yl]phenyl]propanoyl]amino]propanoic acid
CID 118894859
bis(1-[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]propanoyl]azetidine-3-carboxylate);bis(2-hydroxyethyl(dimethyl)azanium)
CID 160932040
5-tert-butyl-N-[3-[(3-nitroso-3-oxopropyl)amino]-3-oxo-2-[[4-[5-(4-spiro[2.5]octan-6-ylcyclohexen-1-yl)pyrimidin-2-yl]phenyl]methyl]propyl]thiophene-2-carboxamide
CID 145005893
1-[(2S)-3-[4-[5-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]-2-[[5-(trifluoromethyl)thiophene-2-carbonyl]amino]propanoyl]azetidine-3-carboxylic acid
CID 118894881
(2R)-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4-propylcyclohexyl)piperidin-1-yl]pyrimidin-2-yl]phenyl]propanoyl]amino]butanoic acid
CID 121407038
(2R)-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[3-fluoro-4-(4-methylphenyl)phenyl]pyrimidin-2-yl]phenyl]propanoyl]amino]propanoic acid
CID 121406676
(2S)-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4-propylcyclohexyl)piperidin-1-yl]pyrimidin-2-yl]phenyl]propanoyl]amino]butanedioic acid
CID 121407060
(2R)-2-[[(2S)-3-[4-[5-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]pyrimidin-2-yl]phenyl]-2-[(5-tert-butylthiophene-2-carbonyl)amino]propanoyl]amino]propanoic acid
CID 121406877
2-[[2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[3-[(3-fluorophenyl)carbamoyl]phenyl]pyrimidin-2-yl]phenyl]propanoyl]amino]propanoic acid
CID 123169133
3-[4-[5-(4-tert-butylphenyl)pyrimidin-2-yl]phenyl]-2-[(5-tert-butylthiophene-2-carbonyl)amino]propanoic acid
CID 122447081
(2R)-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-[3-(trifluoromethyl)phenyl]cyclohexa-2,4-dien-1-yl]pyrimidin-2-yl]phenyl]propanoyl]amino]propanoic acid
CID 121406621

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[(2S)-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]-1-oxo-1-(pyrrolidin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide;(2R)-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]propanoyl]amino]propanoic acid;3-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]propanoyl]amino]propanoic acid?
The IUPAC name of 5-tert-butyl-N-[(2S)-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]-1-oxo-1-(pyrrolidin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide;(2R)-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]propanoyl]amino]propanoic acid;3-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]propanoyl]amino]propanoic acid (CID 161458212) is 5-tert-butyl-N-[(2S)-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]-1-oxo-1-(pyrrolidin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide;(2R)-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]propanoyl]amino]propanoic acid;3-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]propanoyl]amino]propanoic acid.
What is the SMILES notation for 5-tert-butyl-N-[(2S)-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]-1-oxo-1-(pyrrolidin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide;(2R)-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]propanoyl]amino]propanoic acid;3-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]propanoyl]amino]propanoic acid?
The canonical SMILES for 5-tert-butyl-N-[(2S)-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]-1-oxo-1-(pyrrolidin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide;(2R)-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]propanoyl]amino]propanoic acid;3-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]propanoyl]amino]propanoic acid is CC1CCC(C2CC=C(c3cnc(-c4ccc(C[C@H](NC(=O)c5ccc(C(C)(C)C)s5)C(=O)NCC5CCNC5)cc4)nc3)CC2)CC1.CC1CCC(C2CC=C(c3cnc(-c4ccc(C[C@H](NC(=O)c5ccc(C(C)(C)C)s5)C(=O)NCCC(=O)O)cc4)nc3)CC2)CC1.CC1CCC(C2CC=C(c3cnc(-c4ccc(C[C@H](NC(=O)c5ccc(C(C)(C)C)s5)C(=O)N[C@H](C)C(=O)O)cc4)nc3)CC2)CC1.
What is the InChIKey of 5-tert-butyl-N-[(2S)-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]-1-oxo-1-(pyrrolidin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide;(2R)-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]propanoyl]amino]propanoic acid;3-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]propanoyl]amino]propanoic acid?
The InChIKey is WBLGUUJRBFRYIR-WYMALJNKSA-N. The full InChI is InChI=1S/C40H53N5O2S.2C38H48N4O4S/c1-26-5-9-29(10-6-26)30-13-15-31(16-14-30)33-24-42-37(43-25-33)32-11-7-27(8-12-32)21-34(38(46)44-23-28-19-20-41-22-28)45-39(47)35-17-18-36(48-35)40(2,3)4;1-23-6-10-26(11-7-23)27-14-16-28(17-15-27)30-21-39-34(40-22-30)29-12-8-25(9-13-29)20-31(35(43)41-24(2)37(45)46)42-36(44)32-18-19-33(47-32)38(3,4)5;1-24-5-9-26(10-6-24)27-13-15-28(16-14-27)30-22-40-35(41-23-30)29-11-7-25(8-12-29)21-31(36(45)39-20-19-34(43)44)42-37(46)32-17-18-33(47-32)38(2,3)4/h7-8,11-12,15,17-18,24-26,28-30,34,41H,5-6,9-10,13-14,16,19-23H2,1-4H3,(H,44,46)(H,45,47);8-9,12-13,16,18-19,21-24,26-27,31H,6-7,10-11,14-15,17,20H2,1-5H3,(H,41,43)(H,42,44)(H,45,46);7-8,11-12,15,17-18,22-24,26-27,31H,5-6,9-10,13-14,16,19-21H2,1-4H3,(H,39,45)(H,42,46)(H,43,44)/t26?,28?,29?,30?,34-;23?,24-,26?,27?,31+;24?,26?,27?,31-/m010/s1.
What are the key properties of 5-tert-butyl-N-[(2S)-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]-1-oxo-1-(pyrrolidin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide;(2R)-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]propanoyl]amino]propanoic acid;3-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]propanoyl]amino]propanoic acid?
5-tert-butyl-N-[(2S)-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]-1-oxo-1-(pyrrolidin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide;(2R)-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]propanoyl]amino]propanoic acid;3-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]propanoyl]amino]propanoic acid has a molecular weight of 1981.75 g/mol, XLogP of 22.47, 31 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[(2S)-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]-1-oxo-1-(pyrrolidin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide;(2R)-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]propanoyl]amino]propanoic acid;3-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]pyrimidin-2-yl]phenyl]propanoyl]amino]propanoic acid is sourced from PubChem (CID 161458212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).