(2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S)-2,3-dimethylbutanoyl fluoride;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-3-[2,3-dimethylbutanoyl(methyl)amino]-4-methylpentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;(2R)-1-methylpiperidine-2-carboxylic acid;terbium

C161H238FN15O30Tb129 — CID 161354534

IUPAC(2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S)-2,3-dimethylbutanoyl fluoride;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-3-[2,3-dimethylbutanoyl(methyl)amino]-4-methylpentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;(2R)-1-methylpiperidine-2-carboxylic acid;terbium
SMILESCC(=O)O[C@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H]1CCCCN1C)C(C)C)c1cccc(C(=O)N[C@@H](Cc2ccccc2)C[C@H](C)C(=O)O)n1.CC(C)C(C)C(=O)F.CN1CCCC[C@@H]1C(=O)O.COC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c1cccc([C@@H](C[C@H](C(C)C)N(C)C(=O)C(C)C(C)C)OC(C)=O)n1.COC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c1cccc([C@@H](C[C@H](C(C)C)N(C)C(=O)OC(C)(C)C)OC(C)=O)n1.COC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c1cccc([C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H]2CCCCN2C)C(C)C)OC(C)=O)n1.[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb]
InChIInChI=1S/C41H60N4O7.C40H58N4O7.C34H49N3O6.C33H47N3O7.C7H13NO2.C6H11FO.129Tb/c1-26(2)32(24-37(47)35-20-13-14-21-44(35)7)40(49)45(8)36(27(3)4)25-38(52-29(6)46)33-18-15-19-34(43-33)39(48)42-31(22-28(5)41(50)51-9)23-30-16-11-10-12-17-30;1-25(2)31(23-36(46)34-19-12-13-20-43(34)7)39(48)44(8)35(26(3)4)24-37(51-28(6)45)32-17-14-18-33(42-32)38(47)41-30(21-27(5)40(49)50)22-29-15-10-9-11-16-29;1-21(2)24(6)33(40)37(8)30(22(3)4)20-31(43-25(7)38)28-16-13-17-29(36-28)32(39)35-27(18-23(5)34(41)42-9)19-26-14-11-10-12-15-26;1-21(2)28(36(8)32(40)43-33(5,6)7)20-29(42-23(4)37)26-16-13-17-27(35-26)30(38)34-25(18-22(3)31(39)41-9)19-24-14-11-10-12-15-24;1-8-5-3-2-4-6(8)7(9)10;1-4(2)5(3)6(7)8;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h10-12,15-19,26-28,31-32,35-36,38H,13-14,20-25H2,1-9H3,(H,42,48);9-11,14-18,25-27,30-31,34-35,37H,12-13,19-24H2,1-8H3,(H,41,47)(H,49,50);10-17,21-24,27,30-31H,18-20H2,1-9H3,(H,35,39);10-17,21-22,25,28-29H,18-20H2,1-9H3,(H,34,38);6H,2-5H2,1H3,(H,9,10);4-5H,1-3H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/t28-,31+,32-,35+,36+,38+;27-,30+,31-,34+,35+,37+;23-,24?,27+,30+,31+;22-,25+,28+,29+;6-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m00001................................................................................................................................../s1
InChIKeyVOJCLIAWMSBKAU-UUVKAZSLSA-N
MW23384.07 g/mol
LogP24.77
Rot. Bonds67

About (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S)-2,3-dimethylbutanoyl fluoride;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-3-[2,3-dimethylbutanoyl(methyl)amino]-4-methylpentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;(2R)-1-methylpiperidine-2-carboxylic acid;terbium

(2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S)-2,3-dimethylbutanoyl fluoride;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-3-[2,3-dimethylbutanoyl(methyl)amino]-4-methylpentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;(2R)-1-methylpiperidine-2-carboxylic acid;terbium (PubChem CID 161354534) has the molecular formula C161H238FN15O30Tb129 and a molecular weight of 23384.07 g/mol. Its IUPAC name is (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S)-2,3-dimethylbutanoyl fluoride;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-3-[2,3-dimethylbutanoyl(methyl)amino]-4-methylpentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;(2R)-1-methylpiperidine-2-carboxylic acid;terbium.

Molecular Properties

Compound Name(2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S)-2,3-dimethylbutanoyl fluoride;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-3-[2,3-dimethylbutanoyl(methyl)amino]-4-methylpentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;(2R)-1-methylpiperidine-2-carboxylic acid;terbium
PubChem CID161354534
Molecular FormulaC161H238FN15O30Tb129
Molecular Weight23384.07 g/mol
Exact Mass23382.12
IUPAC Name(2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S)-2,3-dimethylbutanoyl fluoride;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-3-[2,3-dimethylbutanoyl(methyl)amino]-4-methylpentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;(2R)-1-methylpiperidine-2-carboxylic acid;terbium
SMILESCC(=O)O[C@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H]1CCCCN1C)C(C)C)c1cccc(C(=O)N[C@@H](Cc2ccccc2)C[C@H](C)C(=O)O)n1.CC(C)C(C)C(=O)F.CN1CCCC[C@@H]1C(=O)O.COC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c1cccc([C@@H](C[C@H](C(C)C)N(C)C(=O)C(C)C(C)C)OC(C)=O)n1.COC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c1cccc([C@@H](C[C@H](C(C)C)N(C)C(=O)OC(C)(C)C)OC(C)=O)n1.COC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c1cccc([C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H]2CCCCN2C)C(C)C)OC(C)=O)n1.[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb]
InChIInChI=1S/C41H60N4O7.C40H58N4O7.C34H49N3O6.C33H47N3O7.C7H13NO2.C6H11FO.129Tb/c1-26(2)32(24-37(47)35-20-13-14-21-44(35)7)40(49)45(8)36(27(3)4)25-38(52-29(6)46)33-18-15-19-34(43-33)39(48)42-31(22-28(5)41(50)51-9)23-30-16-11-10-12-17-30;1-25(2)31(23-36(46)34-19-12-13-20-43(34)7)39(48)44(8)35(26(3)4)24-37(51-28(6)45)32-17-14-18-33(42-32)38(47)41-30(21-27(5)40(49)50)22-29-15-10-9-11-16-29;1-21(2)24(6)33(40)37(8)30(22(3)4)20-31(43-25(7)38)28-16-13-17-29(36-28)32(39)35-27(18-23(5)34(41)42-9)19-26-14-11-10-12-15-26;1-21(2)28(36(8)32(40)43-33(5,6)7)20-29(42-23(4)37)26-16-13-17-27(35-26)30(38)34-25(18-22(3)31(39)41-9)19-24-14-11-10-12-15-24;1-8-5-3-2-4-6(8)7(9)10;1-4(2)5(3)6(7)8;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h10-12,15-19,26-28,31-32,35-36,38H,13-14,20-25H2,1-9H3,(H,42,48);9-11,14-18,25-27,30-31,34-35,37H,12-13,19-24H2,1-8H3,(H,41,47)(H,49,50);10-17,21-24,27,30-31H,18-20H2,1-9H3,(H,35,39);10-17,21-22,25,28-29H,18-20H2,1-9H3,(H,34,38);6H,2-5H2,1H3,(H,9,10);4-5H,1-3H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/t28-,31+,32-,35+,36+,38+;27-,30+,31-,34+,35+,37+;23-,24?,27+,30+,31+;22-,25+,28+,29+;6-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m00001................................................................................................................................../s1
InChIKeyVOJCLIAWMSBKAU-UUVKAZSLSA-N
XLogP24.77
TPSA578.06 Ų
H-Bond Donors6
H-Bond Acceptors35
Rotatable Bonds67
Heavy Atoms336
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 50023384.07
LogP ≤ 524.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1035

Analyze (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S)-2,3-dimethylbutanoyl fluoride;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-3-[2,3-dimethylbutanoyl(methyl)amino]-4-methylpentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;(2R)-1-methylpiperidine-2-carboxylic acid;terbium with MolForge

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Launch Full Analysis

Related Compounds

methyl (2S,4R)-4-[[6-[(1R,3R)-3-[acetyl(methyl)amino]-1-acetyloxy-4-methylpentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;1-[(2R)-1-methylpiperidin-2-yl]propan-1-one
CID 160887471
ethyl (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoate;ethyl (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl(propanoyl)amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoate;methane;methyl (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoate;(2R)-1-methylpiperidine-2-carboxylic acid;propanoyl fluoride;terbium
CID 161221604
(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carboxylic acid
CID 157452068
methyl (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S)-2-cyclohexyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoate
CID 158689019
(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
[(1R,3R)-1-[4-[[(2R,4S)-5-hydroxy-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl] acetate
CID 158886763
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,3R)-1-acetyloxy-3-[[(2S)-2-cyclobutyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]acetyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoate
CID 122521615
[4-methyl-3-[methyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-[4-[(4-methyl-1-phenylpentan-2-yl)carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate
CID 161155097
ethyl (2S,4R)-2-methyl-4-[[2-[(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-5-phenylpentanoate
CID 158585217
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-cyclopropyl-2-[(1-methylpiperidine-2-carbonyl)amino]acetyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid
CID 155201912

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S)-2,3-dimethylbutanoyl fluoride;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-3-[2,3-dimethylbutanoyl(methyl)amino]-4-methylpentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;(2R)-1-methylpiperidine-2-carboxylic acid;terbium?
The IUPAC name of (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S)-2,3-dimethylbutanoyl fluoride;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-3-[2,3-dimethylbutanoyl(methyl)amino]-4-methylpentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;(2R)-1-methylpiperidine-2-carboxylic acid;terbium (CID 161354534) is (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S)-2,3-dimethylbutanoyl fluoride;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-3-[2,3-dimethylbutanoyl(methyl)amino]-4-methylpentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;(2R)-1-methylpiperidine-2-carboxylic acid;terbium.
What is the SMILES notation for (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S)-2,3-dimethylbutanoyl fluoride;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-3-[2,3-dimethylbutanoyl(methyl)amino]-4-methylpentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;(2R)-1-methylpiperidine-2-carboxylic acid;terbium?
The canonical SMILES for (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S)-2,3-dimethylbutanoyl fluoride;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-3-[2,3-dimethylbutanoyl(methyl)amino]-4-methylpentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;(2R)-1-methylpiperidine-2-carboxylic acid;terbium is CC(=O)O[C@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H]1CCCCN1C)C(C)C)c1cccc(C(=O)N[C@@H](Cc2ccccc2)C[C@H](C)C(=O)O)n1.CC(C)C(C)C(=O)F.CN1CCCC[C@@H]1C(=O)O.COC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c1cccc([C@@H](C[C@H](C(C)C)N(C)C(=O)C(C)C(C)C)OC(C)=O)n1.COC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c1cccc([C@@H](C[C@H](C(C)C)N(C)C(=O)OC(C)(C)C)OC(C)=O)n1.COC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c1cccc([C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H]2CCCCN2C)C(C)C)OC(C)=O)n1.[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].
What is the InChIKey of (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S)-2,3-dimethylbutanoyl fluoride;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-3-[2,3-dimethylbutanoyl(methyl)amino]-4-methylpentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;(2R)-1-methylpiperidine-2-carboxylic acid;terbium?
The InChIKey is VOJCLIAWMSBKAU-UUVKAZSLSA-N. The full InChI is InChI=1S/C41H60N4O7.C40H58N4O7.C34H49N3O6.C33H47N3O7.C7H13NO2.C6H11FO.129Tb/c1-26(2)32(24-37(47)35-20-13-14-21-44(35)7)40(49)45(8)36(27(3)4)25-38(52-29(6)46)33-18-15-19-34(43-33)39(48)42-31(22-28(5)41(50)51-9)23-30-16-11-10-12-17-30;1-25(2)31(23-36(46)34-19-12-13-20-43(34)7)39(48)44(8)35(26(3)4)24-37(51-28(6)45)32-17-14-18-33(42-32)38(47)41-30(21-27(5)40(49)50)22-29-15-10-9-11-16-29;1-21(2)24(6)33(40)37(8)30(22(3)4)20-31(43-25(7)38)28-16-13-17-29(36-28)32(39)35-27(18-23(5)34(41)42-9)19-26-14-11-10-12-15-26;1-21(2)28(36(8)32(40)43-33(5,6)7)20-29(42-23(4)37)26-16-13-17-27(35-26)30(38)34-25(18-22(3)31(39)41-9)19-24-14-11-10-12-15-24;1-8-5-3-2-4-6(8)7(9)10;1-4(2)5(3)6(7)8;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h10-12,15-19,26-28,31-32,35-36,38H,13-14,20-25H2,1-9H3,(H,42,48);9-11,14-18,25-27,30-31,34-35,37H,12-13,19-24H2,1-8H3,(H,41,47)(H,49,50);10-17,21-24,27,30-31H,18-20H2,1-9H3,(H,35,39);10-17,21-22,25,28-29H,18-20H2,1-9H3,(H,34,38);6H,2-5H2,1H3,(H,9,10);4-5H,1-3H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/t28-,31+,32-,35+,36+,38+;27-,30+,31-,34+,35+,37+;23-,24?,27+,30+,31+;22-,25+,28+,29+;6-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m00001................................................................................................................................../s1.
What are the key properties of (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S)-2,3-dimethylbutanoyl fluoride;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-3-[2,3-dimethylbutanoyl(methyl)amino]-4-methylpentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;(2R)-1-methylpiperidine-2-carboxylic acid;terbium?
(2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S)-2,3-dimethylbutanoyl fluoride;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-3-[2,3-dimethylbutanoyl(methyl)amino]-4-methylpentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;(2R)-1-methylpiperidine-2-carboxylic acid;terbium has a molecular weight of 23384.07 g/mol, XLogP of 24.77, 67 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S)-2,3-dimethylbutanoyl fluoride;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-3-[2,3-dimethylbutanoyl(methyl)amino]-4-methylpentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;methyl (2S,4R)-4-[[6-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl]pyridine-2-carbonyl]amino]-2-methyl-5-phenylpentanoate;(2R)-1-methylpiperidine-2-carboxylic acid;terbium is sourced from PubChem (CID 161354534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).