4-[[2-[3-[benzyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-fluorophenyl)-2-methylpentanoic acid;4-[[2-[3-[benzyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-[4-(trifluoromethyl)phenyl]pentanoic acid

C217H316F4N20O36S5 — CID 157290416

IUPAC4-[[2-[3-[benzyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-fluorophenyl)-2-methylpentanoic acid;4-[[2-[3-[benzyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-[4-(trifluoromethyl)phenyl]pentanoic acid
SMILESCCC(C)C(CC(=O)C1CCCCN1C)C(=O)N(CCOC)C(CC(OCOC)c1nc(C(=O)NC(Cc2ccc(-c3ccccc3)cc2)CC(C)C(=O)O)cs1)C(C)C.CCC(C)C(CC(=O)C1CCCCN1C)C(=O)N(CCOC)C(CC(OCOC)c1nc(C(=O)NC(Cc2ccc(C(F)(F)F)cc2)CC(C)C(=O)O)cs1)C(C)C.CCC(C)C(CC(=O)C1CCCCN1C)C(=O)N(CCOC)C(CC(OCOC)c1nc(C(=O)NC(Cc2ccc(C)cc2)CC(C)C(=O)O)cs1)C(C)C.CCC(C)C(CC(=O)C1CCCCN1C)C(=O)N(Cc1ccccc1)C(CC(O)c1nc(C(=O)NC(Cc2ccc(F)cc2)CC(C)C(=O)O)cs1)C(C)C.CCC(C)C(CC(=O)C1CCCCN1C)C(=O)N(Cc1ccccc1)C(CC(O)c1nc(C(=O)NC(Cc2ccccc2)CC(C)C(=O)O)cs1)C(C)C
InChIInChI=1S/C47H68N4O8S.C43H59FN4O6S.C43H60N4O6S.C42H63F3N4O8S.C42H66N4O8S/c1-9-32(4)38(27-42(52)40-17-13-14-22-50(40)6)46(54)51(23-24-57-7)41(31(2)3)28-43(59-30-58-8)45-49-39(29-60-45)44(53)48-37(25-33(5)47(55)56)26-34-18-20-36(21-19-34)35-15-11-10-12-16-35;1-7-28(4)34(23-38(49)36-15-11-12-20-47(36)6)42(52)48(25-31-13-9-8-10-14-31)37(27(2)3)24-39(50)41-46-35(26-55-41)40(51)45-33(21-29(5)43(53)54)22-30-16-18-32(44)19-17-30;1-7-29(4)34(24-38(48)36-20-14-15-21-46(36)6)42(51)47(26-32-18-12-9-13-19-32)37(28(2)3)25-39(49)41-45-35(27-54-41)40(50)44-33(22-30(5)43(52)53)23-31-16-10-8-11-17-31;1-9-27(4)32(22-36(50)34-12-10-11-17-48(34)6)40(52)49(18-19-55-7)35(26(2)3)23-37(57-25-56-8)39-47-33(24-58-39)38(51)46-31(20-28(5)41(53)54)21-29-13-15-30(16-14-29)42(43,44)45;1-10-29(5)33(23-37(47)35-13-11-12-18-45(35)7)41(49)46(19-20-52-8)36(27(2)3)24-38(54-26-53-9)40-44-34(25-55-40)39(48)43-32(21-30(6)42(50)51)22-31-16-14-28(4)15-17-31/h10-12,15-16,18-21,29,31-33,37-38,40-41,43H,9,13-14,17,22-28,30H2,1-8H3,(H,48,53)(H,55,56);8-10,13-14,16-19,26-29,33-34,36-37,39,50H,7,11-12,15,20-25H2,1-6H3,(H,45,51)(H,53,54);8-13,16-19,27-30,33-34,36-37,39,49H,7,14-15,20-26H2,1-6H3,(H,44,50)(H,52,53);13-16,24,26-28,31-32,34-35,37H,9-12,17-23,25H2,1-8H3,(H,46,51)(H,53,54);14-17,25,27,29-30,32-33,35-36,38H,10-13,18-24,26H2,1-9H3,(H,43,48)(H,50,51)
InChIKeyBASTZEFCBMUBJM-UHFFFAOYSA-N
MW4017.35 g/mol
LogP36.25
Rot. Bonds113

About 4-[[2-[3-[benzyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-fluorophenyl)-2-methylpentanoic acid;4-[[2-[3-[benzyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-[4-(trifluoromethyl)phenyl]pentanoic acid

4-[[2-[3-[benzyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-fluorophenyl)-2-methylpentanoic acid;4-[[2-[3-[benzyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-[4-(trifluoromethyl)phenyl]pentanoic acid (PubChem CID 157290416) has the molecular formula C217H316F4N20O36S5 and a molecular weight of 4017.35 g/mol. Its IUPAC name is 4-[[2-[3-[benzyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-fluorophenyl)-2-methylpentanoic acid;4-[[2-[3-[benzyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-[4-(trifluoromethyl)phenyl]pentanoic acid.

Molecular Properties

Compound Name4-[[2-[3-[benzyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-fluorophenyl)-2-methylpentanoic acid;4-[[2-[3-[benzyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-[4-(trifluoromethyl)phenyl]pentanoic acid
PubChem CID157290416
Molecular FormulaC217H316F4N20O36S5
Molecular Weight4017.35 g/mol
Exact Mass4014.21
IUPAC Name4-[[2-[3-[benzyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-fluorophenyl)-2-methylpentanoic acid;4-[[2-[3-[benzyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-[4-(trifluoromethyl)phenyl]pentanoic acid
SMILESCCC(C)C(CC(=O)C1CCCCN1C)C(=O)N(CCOC)C(CC(OCOC)c1nc(C(=O)NC(Cc2ccc(-c3ccccc3)cc2)CC(C)C(=O)O)cs1)C(C)C.CCC(C)C(CC(=O)C1CCCCN1C)C(=O)N(CCOC)C(CC(OCOC)c1nc(C(=O)NC(Cc2ccc(C(F)(F)F)cc2)CC(C)C(=O)O)cs1)C(C)C.CCC(C)C(CC(=O)C1CCCCN1C)C(=O)N(CCOC)C(CC(OCOC)c1nc(C(=O)NC(Cc2ccc(C)cc2)CC(C)C(=O)O)cs1)C(C)C.CCC(C)C(CC(=O)C1CCCCN1C)C(=O)N(Cc1ccccc1)C(CC(O)c1nc(C(=O)NC(Cc2ccc(F)cc2)CC(C)C(=O)O)cs1)C(C)C.CCC(C)C(CC(=O)C1CCCCN1C)C(=O)N(Cc1ccccc1)C(CC(O)c1nc(C(=O)NC(Cc2ccccc2)CC(C)C(=O)O)cs1)C(C)C
InChIInChI=1S/C47H68N4O8S.C43H59FN4O6S.C43H60N4O6S.C42H63F3N4O8S.C42H66N4O8S/c1-9-32(4)38(27-42(52)40-17-13-14-22-50(40)6)46(54)51(23-24-57-7)41(31(2)3)28-43(59-30-58-8)45-49-39(29-60-45)44(53)48-37(25-33(5)47(55)56)26-34-18-20-36(21-19-34)35-15-11-10-12-16-35;1-7-28(4)34(23-38(49)36-15-11-12-20-47(36)6)42(52)48(25-31-13-9-8-10-14-31)37(27(2)3)24-39(50)41-46-35(26-55-41)40(51)45-33(21-29(5)43(53)54)22-30-16-18-32(44)19-17-30;1-7-29(4)34(24-38(48)36-20-14-15-21-46(36)6)42(51)47(26-32-18-12-9-13-19-32)37(28(2)3)25-39(49)41-45-35(27-54-41)40(50)44-33(22-30(5)43(52)53)23-31-16-10-8-11-17-31;1-9-27(4)32(22-36(50)34-12-10-11-17-48(34)6)40(52)49(18-19-55-7)35(26(2)3)23-37(57-25-56-8)39-47-33(24-58-39)38(51)46-31(20-28(5)41(53)54)21-29-13-15-30(16-14-29)42(43,44)45;1-10-29(5)33(23-37(47)35-13-11-12-18-45(35)7)41(49)46(19-20-52-8)36(27(2)3)24-38(54-26-53-9)40-44-34(25-55-40)39(48)43-32(21-30(6)42(50)51)22-31-16-14-28(4)15-17-31/h10-12,15-16,18-21,29,31-33,37-38,40-41,43H,9,13-14,17,22-28,30H2,1-8H3,(H,48,53)(H,55,56);8-10,13-14,16-19,26-29,33-34,36-37,39,50H,7,11-12,15,20-25H2,1-6H3,(H,45,51)(H,53,54);8-13,16-19,27-30,33-34,36-37,39,49H,7,14-15,20-26H2,1-6H3,(H,44,50)(H,52,53);13-16,24,26-28,31-32,34-35,37H,9-12,17-23,25H2,1-8H3,(H,46,51)(H,53,54);14-17,25,27,29-30,32-33,35-36,38H,10-13,18-24,26H2,1-9H3,(H,43,48)(H,50,51)
InChIKeyBASTZEFCBMUBJM-UHFFFAOYSA-N
XLogP36.25
TPSA723.08 Ų
H-Bond Donors12
H-Bond Acceptors46
Rotatable Bonds113
Heavy Atoms282
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004017.35
LogP ≤ 536.25
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-[[2-[3-[benzyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-fluorophenyl)-2-methylpentanoic acid;4-[[2-[3-[benzyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-[4-(trifluoromethyl)phenyl]pentanoic acid with MolForge

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Related Compounds

(2S,4R)-4-[[2-[(1R,3R)-3-[benzyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-fluorophenyl)-2-methylpentanoic acid
CID 58391068
4-[[2-[1-hydroxy-3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid
CID 58391185
(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-[4-(trifluoromethyl)phenyl]pentanoic acid
CID 58391181
2-[(1R,3R)-1-hydroxy-3-[2-methoxyethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-N-[(2R,4S)-4-methyl-5-oxo-1-[4-(trifluoromethyl)phenyl]hexan-2-yl]-1,3-thiazole-4-carboxamide
CID 58391086
methyl (2S,4R)-4-[[2-[(1R,3R)-1-(methoxymethoxy)-4-methyl-3-[[(2S)-3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]-propylamino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoate
CID 157175376
4-[[2-[1-acetyloxy-3-[benzyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-methoxyphenyl)-2-methylpentanoic acid
CID 58391113
(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[2-methoxyethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-methoxyphenyl)-2-methylpentanoic acid
CID 58391142
(2S,4R)-4-[[2-[(3R)-3-[benzyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-4-methylpentanoyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid
CID 58391172
(2S,4R)-2-methyl-4-[[2-[(1R,3R)-4-methyl-1-(methylcarbamoyloxy)-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-methylphenyl)pentanoic acid
CID 159501298
methyl 4-[[2-[1-acetyloxy-3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoate
CID 58391082
methyl (2S,4R)-4-[[2-[(1R)-1-hydroxy-4-methyl-3-[methyl-[(2S)-3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-phenylphenyl)pentanoate
CID 158925974
(2S,4R)-4-[[2-[(1R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid
CID 158927688

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[3-[benzyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-fluorophenyl)-2-methylpentanoic acid;4-[[2-[3-[benzyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-[4-(trifluoromethyl)phenyl]pentanoic acid?
The IUPAC name of 4-[[2-[3-[benzyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-fluorophenyl)-2-methylpentanoic acid;4-[[2-[3-[benzyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-[4-(trifluoromethyl)phenyl]pentanoic acid (CID 157290416) is 4-[[2-[3-[benzyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-fluorophenyl)-2-methylpentanoic acid;4-[[2-[3-[benzyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-[4-(trifluoromethyl)phenyl]pentanoic acid.
What is the SMILES notation for 4-[[2-[3-[benzyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-fluorophenyl)-2-methylpentanoic acid;4-[[2-[3-[benzyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-[4-(trifluoromethyl)phenyl]pentanoic acid?
The canonical SMILES for 4-[[2-[3-[benzyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-fluorophenyl)-2-methylpentanoic acid;4-[[2-[3-[benzyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-[4-(trifluoromethyl)phenyl]pentanoic acid is CCC(C)C(CC(=O)C1CCCCN1C)C(=O)N(CCOC)C(CC(OCOC)c1nc(C(=O)NC(Cc2ccc(-c3ccccc3)cc2)CC(C)C(=O)O)cs1)C(C)C.CCC(C)C(CC(=O)C1CCCCN1C)C(=O)N(CCOC)C(CC(OCOC)c1nc(C(=O)NC(Cc2ccc(C(F)(F)F)cc2)CC(C)C(=O)O)cs1)C(C)C.CCC(C)C(CC(=O)C1CCCCN1C)C(=O)N(CCOC)C(CC(OCOC)c1nc(C(=O)NC(Cc2ccc(C)cc2)CC(C)C(=O)O)cs1)C(C)C.CCC(C)C(CC(=O)C1CCCCN1C)C(=O)N(Cc1ccccc1)C(CC(O)c1nc(C(=O)NC(Cc2ccc(F)cc2)CC(C)C(=O)O)cs1)C(C)C.CCC(C)C(CC(=O)C1CCCCN1C)C(=O)N(Cc1ccccc1)C(CC(O)c1nc(C(=O)NC(Cc2ccccc2)CC(C)C(=O)O)cs1)C(C)C.
What is the InChIKey of 4-[[2-[3-[benzyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-fluorophenyl)-2-methylpentanoic acid;4-[[2-[3-[benzyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-[4-(trifluoromethyl)phenyl]pentanoic acid?
The InChIKey is BASTZEFCBMUBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H68N4O8S.C43H59FN4O6S.C43H60N4O6S.C42H63F3N4O8S.C42H66N4O8S/c1-9-32(4)38(27-42(52)40-17-13-14-22-50(40)6)46(54)51(23-24-57-7)41(31(2)3)28-43(59-30-58-8)45-49-39(29-60-45)44(53)48-37(25-33(5)47(55)56)26-34-18-20-36(21-19-34)35-15-11-10-12-16-35;1-7-28(4)34(23-38(49)36-15-11-12-20-47(36)6)42(52)48(25-31-13-9-8-10-14-31)37(27(2)3)24-39(50)41-46-35(26-55-41)40(51)45-33(21-29(5)43(53)54)22-30-16-18-32(44)19-17-30;1-7-29(4)34(24-38(48)36-20-14-15-21-46(36)6)42(51)47(26-32-18-12-9-13-19-32)37(28(2)3)25-39(49)41-45-35(27-54-41)40(50)44-33(22-30(5)43(52)53)23-31-16-10-8-11-17-31;1-9-27(4)32(22-36(50)34-12-10-11-17-48(34)6)40(52)49(18-19-55-7)35(26(2)3)23-37(57-25-56-8)39-47-33(24-58-39)38(51)46-31(20-28(5)41(53)54)21-29-13-15-30(16-14-29)42(43,44)45;1-10-29(5)33(23-37(47)35-13-11-12-18-45(35)7)41(49)46(19-20-52-8)36(27(2)3)24-38(54-26-53-9)40-44-34(25-55-40)39(48)43-32(21-30(6)42(50)51)22-31-16-14-28(4)15-17-31/h10-12,15-16,18-21,29,31-33,37-38,40-41,43H,9,13-14,17,22-28,30H2,1-8H3,(H,48,53)(H,55,56);8-10,13-14,16-19,26-29,33-34,36-37,39,50H,7,11-12,15,20-25H2,1-6H3,(H,45,51)(H,53,54);8-13,16-19,27-30,33-34,36-37,39,49H,7,14-15,20-26H2,1-6H3,(H,44,50)(H,52,53);13-16,24,26-28,31-32,34-35,37H,9-12,17-23,25H2,1-8H3,(H,46,51)(H,53,54);14-17,25,27,29-30,32-33,35-36,38H,10-13,18-24,26H2,1-9H3,(H,43,48)(H,50,51).
What are the key properties of 4-[[2-[3-[benzyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-fluorophenyl)-2-methylpentanoic acid;4-[[2-[3-[benzyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-[4-(trifluoromethyl)phenyl]pentanoic acid?
4-[[2-[3-[benzyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-fluorophenyl)-2-methylpentanoic acid;4-[[2-[3-[benzyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-[4-(trifluoromethyl)phenyl]pentanoic acid has a molecular weight of 4017.35 g/mol, XLogP of 36.25, 113 rotatable bonds, 12 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[3-[benzyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-fluorophenyl)-2-methylpentanoic acid;4-[[2-[3-[benzyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid;4-[[2-[3-[2-methoxyethyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-(methoxymethoxy)-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-[4-(trifluoromethyl)phenyl]pentanoic acid is sourced from PubChem (CID 157290416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).