amino 4-[2-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1,3-oxazol-4-yl]butanoate;amino 3-[2-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1,3-oxazol-4-yl]propanoate;1-hydroxy-5-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]pentan-2-one;1-hydroxy-4-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]butan-2-one;N-hydroxy-3-[5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-3-methylthiophen-2-yl]propanamide;N-hydroxy-2-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-1,3-oxazol-2-yl]pentan-3-yl]-2-methylphenoxy]acetamide

C158H235N7O28S — CID 157302216

IUPACamino 4-[2-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1,3-oxazol-4-yl]butanoate;amino 3-[2-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1,3-oxazol-4-yl]propanoate;1-hydroxy-5-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]pentan-2-one;1-hydroxy-4-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]butan-2-one;N-hydroxy-3-[5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-3-methylthiophen-2-yl]propanamide;N-hydroxy-2-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-1,3-oxazol-2-yl]pentan-3-yl]-2-methylphenoxy]acetamide
SMILESCCC(CC)(c1ccc(CCC(=O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1.CCC(CC)(c1ccc(OCC(=O)NO)c(C)c1)c1nc(CCC(O)C(C)(C)C)co1.CCC(CC)(c1ccc(OCC(O)C(C)(C)C)c(C)c1)c1cc(C)c(CCC(=O)NO)s1.CCC(CC)(c1ccc(OCC(O)C(C)(C)C)c(C)c1)c1nc(CCC(=O)ON)co1.CCC(CC)(c1ccc(OCC(O)C(C)(C)C)c(C)c1)c1nc(CCCC(=O)ON)co1.CCC(CC)(c1ccc(OCCCC(=O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1
InChIInChI=1S/C30H44O5.C29H42O4.C26H39NO4S.C25H38N2O5.2C24H36N2O5/c1-8-30(9-2,23-12-14-26(21(3)17-23)34-16-10-11-25(32)19-31)24-13-15-27(22(4)18-24)35-20-28(33)29(5,6)7;1-8-29(9-2,23-12-10-22(20(3)16-23)11-14-25(31)18-30)24-13-15-26(21(4)17-24)33-19-27(32)28(5,6)7;1-8-26(9-2,23-15-18(4)21(32-23)12-13-24(29)27-30)19-10-11-20(17(3)14-19)31-16-22(28)25(5,6)7;1-7-25(8-2,23-27-19(15-31-23)10-9-11-22(29)32-26)18-12-13-20(17(3)14-18)30-16-21(28)24(4,5)6;1-7-24(8-2,22-26-18(14-30-22)10-12-21(28)31-25)17-9-11-19(16(3)13-17)29-15-20(27)23(4,5)6;1-7-24(8-2,17-9-11-19(16(3)13-17)30-15-21(28)26-29)22-25-18(14-31-22)10-12-20(27)23(4,5)6/h12-15,17-18,28,31,33H,8-11,16,19-20H2,1-7H3;10,12-13,15-17,27,30,32H,8-9,11,14,18-19H2,1-7H3;10-11,14-15,22,28,30H,8-9,12-13,16H2,1-7H3,(H,27,29);12-15,21,28H,7-11,16,26H2,1-6H3;9,11,13-14,20,27H,7-8,10,12,15,25H2,1-6H3;9,11,13-14,20,27,29H,7-8,10,12,15H2,1-6H3,(H,26,28)/t28-;27-;;;;/m00..../s1
InChIKeyBCAOIQNHCPEPAO-JMCMBQPMSA-N
MW2712.71 g/mol
LogP30.45
Rot. Bonds65

About amino 4-[2-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1,3-oxazol-4-yl]butanoate;amino 3-[2-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1,3-oxazol-4-yl]propanoate;1-hydroxy-5-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]pentan-2-one;1-hydroxy-4-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]butan-2-one;N-hydroxy-3-[5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-3-methylthiophen-2-yl]propanamide;N-hydroxy-2-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-1,3-oxazol-2-yl]pentan-3-yl]-2-methylphenoxy]acetamide

amino 4-[2-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1,3-oxazol-4-yl]butanoate;amino 3-[2-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1,3-oxazol-4-yl]propanoate;1-hydroxy-5-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]pentan-2-one;1-hydroxy-4-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]butan-2-one;N-hydroxy-3-[5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-3-methylthiophen-2-yl]propanamide;N-hydroxy-2-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-1,3-oxazol-2-yl]pentan-3-yl]-2-methylphenoxy]acetamide (PubChem CID 157302216) has the molecular formula C158H235N7O28S and a molecular weight of 2712.71 g/mol. Its IUPAC name is amino 4-[2-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1,3-oxazol-4-yl]butanoate;amino 3-[2-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1,3-oxazol-4-yl]propanoate;1-hydroxy-5-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]pentan-2-one;1-hydroxy-4-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]butan-2-one;N-hydroxy-3-[5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-3-methylthiophen-2-yl]propanamide;N-hydroxy-2-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-1,3-oxazol-2-yl]pentan-3-yl]-2-methylphenoxy]acetamide.

Molecular Properties

Compound Nameamino 4-[2-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1,3-oxazol-4-yl]butanoate;amino 3-[2-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1,3-oxazol-4-yl]propanoate;1-hydroxy-5-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]pentan-2-one;1-hydroxy-4-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]butan-2-one;N-hydroxy-3-[5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-3-methylthiophen-2-yl]propanamide;N-hydroxy-2-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-1,3-oxazol-2-yl]pentan-3-yl]-2-methylphenoxy]acetamide
PubChem CID157302216
Molecular FormulaC158H235N7O28S
Molecular Weight2712.71 g/mol
Exact Mass2710.69
IUPAC Nameamino 4-[2-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1,3-oxazol-4-yl]butanoate;amino 3-[2-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1,3-oxazol-4-yl]propanoate;1-hydroxy-5-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]pentan-2-one;1-hydroxy-4-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]butan-2-one;N-hydroxy-3-[5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-3-methylthiophen-2-yl]propanamide;N-hydroxy-2-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-1,3-oxazol-2-yl]pentan-3-yl]-2-methylphenoxy]acetamide
SMILESCCC(CC)(c1ccc(CCC(=O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1.CCC(CC)(c1ccc(OCC(=O)NO)c(C)c1)c1nc(CCC(O)C(C)(C)C)co1.CCC(CC)(c1ccc(OCC(O)C(C)(C)C)c(C)c1)c1cc(C)c(CCC(=O)NO)s1.CCC(CC)(c1ccc(OCC(O)C(C)(C)C)c(C)c1)c1nc(CCC(=O)ON)co1.CCC(CC)(c1ccc(OCC(O)C(C)(C)C)c(C)c1)c1nc(CCCC(=O)ON)co1.CCC(CC)(c1ccc(OCCCC(=O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1
InChIInChI=1S/C30H44O5.C29H42O4.C26H39NO4S.C25H38N2O5.2C24H36N2O5/c1-8-30(9-2,23-12-14-26(21(3)17-23)34-16-10-11-25(32)19-31)24-13-15-27(22(4)18-24)35-20-28(33)29(5,6)7;1-8-29(9-2,23-12-10-22(20(3)16-23)11-14-25(31)18-30)24-13-15-26(21(4)17-24)33-19-27(32)28(5,6)7;1-8-26(9-2,23-15-18(4)21(32-23)12-13-24(29)27-30)19-10-11-20(17(3)14-19)31-16-22(28)25(5,6)7;1-7-25(8-2,23-27-19(15-31-23)10-9-11-22(29)32-26)18-12-13-20(17(3)14-18)30-16-21(28)24(4,5)6;1-7-24(8-2,22-26-18(14-30-22)10-12-21(28)31-25)17-9-11-19(16(3)13-17)29-15-20(27)23(4,5)6;1-7-24(8-2,17-9-11-19(16(3)13-17)30-15-21(28)26-29)22-25-18(14-31-22)10-12-20(27)23(4,5)6/h12-15,17-18,28,31,33H,8-11,16,19-20H2,1-7H3;10,12-13,15-17,27,30,32H,8-9,11,14,18-19H2,1-7H3;10-11,14-15,22,28,30H,8-9,12-13,16H2,1-7H3,(H,27,29);12-15,21,28H,7-11,16,26H2,1-6H3;9,11,13-14,20,27H,7-8,10,12,15,25H2,1-6H3;9,11,13-14,20,27,29H,7-8,10,12,15H2,1-6H3,(H,26,28)/t28-;27-;;;;/m00..../s1
InChIKeyBCAOIQNHCPEPAO-JMCMBQPMSA-N
XLogP30.45
TPSA541.98 Ų
H-Bond Donors14
H-Bond Acceptors34
Rotatable Bonds65
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002712.71
LogP ≤ 530.45
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze amino 4-[2-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1,3-oxazol-4-yl]butanoate;amino 3-[2-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1,3-oxazol-4-yl]propanoate;1-hydroxy-5-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]pentan-2-one;1-hydroxy-4-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]butan-2-one;N-hydroxy-3-[5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-3-methylthiophen-2-yl]propanamide;N-hydroxy-2-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-1,3-oxazol-2-yl]pentan-3-yl]-2-methylphenoxy]acetamide with MolForge

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Launch Full Analysis

Related Compounds

N-hydroxy-2-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-1,3-oxazol-2-yl]pentan-3-yl]-2-methylphenoxy]acetamide
CID 71616934
N-hydroxy-4-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]butanamide
CID 71616709
N-hydroxy-7-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]heptanamide
CID 71616935
(2R)-2-[[2-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]acetyl]amino]pentanedioic acid
CID 58598308
(2R)-4-amino-2-[[2-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]acetyl]amino]-4-oxobutanoic acid
CID 58598248
(4S)-4-hydroxy-5-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]pentanoic acid
CID 56678872
4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenol;2-[[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]methyl]propane-1,3-diol
CID 159694859
(3R)-4,4-dimethyl-1-[2-methyl-4-[3-(3-methyl-4-propoxyphenyl)pentan-3-yl]phenyl]pentan-3-ol
CID 91383126
N-hydroxy-8-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-8-oxooctanamide
CID 157095786
N-hydroxy-8-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenyl]-8-oxooctanamide
CID 157444540
5-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]pentane-1,4-diol
CID 11705766
methyl 3-[4-[3-[4-(2,3-dihydroxypropoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]propanoate
CID 69333758

Frequently Asked Questions

What is the IUPAC name of amino 4-[2-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1,3-oxazol-4-yl]butanoate;amino 3-[2-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1,3-oxazol-4-yl]propanoate;1-hydroxy-5-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]pentan-2-one;1-hydroxy-4-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]butan-2-one;N-hydroxy-3-[5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-3-methylthiophen-2-yl]propanamide;N-hydroxy-2-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-1,3-oxazol-2-yl]pentan-3-yl]-2-methylphenoxy]acetamide?
The IUPAC name of amino 4-[2-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1,3-oxazol-4-yl]butanoate;amino 3-[2-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1,3-oxazol-4-yl]propanoate;1-hydroxy-5-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]pentan-2-one;1-hydroxy-4-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]butan-2-one;N-hydroxy-3-[5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-3-methylthiophen-2-yl]propanamide;N-hydroxy-2-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-1,3-oxazol-2-yl]pentan-3-yl]-2-methylphenoxy]acetamide (CID 157302216) is amino 4-[2-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1,3-oxazol-4-yl]butanoate;amino 3-[2-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1,3-oxazol-4-yl]propanoate;1-hydroxy-5-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]pentan-2-one;1-hydroxy-4-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]butan-2-one;N-hydroxy-3-[5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-3-methylthiophen-2-yl]propanamide;N-hydroxy-2-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-1,3-oxazol-2-yl]pentan-3-yl]-2-methylphenoxy]acetamide.
What is the SMILES notation for amino 4-[2-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1,3-oxazol-4-yl]butanoate;amino 3-[2-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1,3-oxazol-4-yl]propanoate;1-hydroxy-5-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]pentan-2-one;1-hydroxy-4-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]butan-2-one;N-hydroxy-3-[5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-3-methylthiophen-2-yl]propanamide;N-hydroxy-2-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-1,3-oxazol-2-yl]pentan-3-yl]-2-methylphenoxy]acetamide?
The canonical SMILES for amino 4-[2-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1,3-oxazol-4-yl]butanoate;amino 3-[2-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1,3-oxazol-4-yl]propanoate;1-hydroxy-5-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]pentan-2-one;1-hydroxy-4-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]butan-2-one;N-hydroxy-3-[5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-3-methylthiophen-2-yl]propanamide;N-hydroxy-2-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-1,3-oxazol-2-yl]pentan-3-yl]-2-methylphenoxy]acetamide is CCC(CC)(c1ccc(CCC(=O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1.CCC(CC)(c1ccc(OCC(=O)NO)c(C)c1)c1nc(CCC(O)C(C)(C)C)co1.CCC(CC)(c1ccc(OCC(O)C(C)(C)C)c(C)c1)c1cc(C)c(CCC(=O)NO)s1.CCC(CC)(c1ccc(OCC(O)C(C)(C)C)c(C)c1)c1nc(CCC(=O)ON)co1.CCC(CC)(c1ccc(OCC(O)C(C)(C)C)c(C)c1)c1nc(CCCC(=O)ON)co1.CCC(CC)(c1ccc(OCCCC(=O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1.
What is the InChIKey of amino 4-[2-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1,3-oxazol-4-yl]butanoate;amino 3-[2-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1,3-oxazol-4-yl]propanoate;1-hydroxy-5-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]pentan-2-one;1-hydroxy-4-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]butan-2-one;N-hydroxy-3-[5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-3-methylthiophen-2-yl]propanamide;N-hydroxy-2-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-1,3-oxazol-2-yl]pentan-3-yl]-2-methylphenoxy]acetamide?
The InChIKey is BCAOIQNHCPEPAO-JMCMBQPMSA-N. The full InChI is InChI=1S/C30H44O5.C29H42O4.C26H39NO4S.C25H38N2O5.2C24H36N2O5/c1-8-30(9-2,23-12-14-26(21(3)17-23)34-16-10-11-25(32)19-31)24-13-15-27(22(4)18-24)35-20-28(33)29(5,6)7;1-8-29(9-2,23-12-10-22(20(3)16-23)11-14-25(31)18-30)24-13-15-26(21(4)17-24)33-19-27(32)28(5,6)7;1-8-26(9-2,23-15-18(4)21(32-23)12-13-24(29)27-30)19-10-11-20(17(3)14-19)31-16-22(28)25(5,6)7;1-7-25(8-2,23-27-19(15-31-23)10-9-11-22(29)32-26)18-12-13-20(17(3)14-18)30-16-21(28)24(4,5)6;1-7-24(8-2,22-26-18(14-30-22)10-12-21(28)31-25)17-9-11-19(16(3)13-17)29-15-20(27)23(4,5)6;1-7-24(8-2,17-9-11-19(16(3)13-17)30-15-21(28)26-29)22-25-18(14-31-22)10-12-20(27)23(4,5)6/h12-15,17-18,28,31,33H,8-11,16,19-20H2,1-7H3;10,12-13,15-17,27,30,32H,8-9,11,14,18-19H2,1-7H3;10-11,14-15,22,28,30H,8-9,12-13,16H2,1-7H3,(H,27,29);12-15,21,28H,7-11,16,26H2,1-6H3;9,11,13-14,20,27H,7-8,10,12,15,25H2,1-6H3;9,11,13-14,20,27,29H,7-8,10,12,15H2,1-6H3,(H,26,28)/t28-;27-;;;;/m00..../s1.
What are the key properties of amino 4-[2-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1,3-oxazol-4-yl]butanoate;amino 3-[2-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1,3-oxazol-4-yl]propanoate;1-hydroxy-5-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]pentan-2-one;1-hydroxy-4-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]butan-2-one;N-hydroxy-3-[5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-3-methylthiophen-2-yl]propanamide;N-hydroxy-2-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-1,3-oxazol-2-yl]pentan-3-yl]-2-methylphenoxy]acetamide?
amino 4-[2-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1,3-oxazol-4-yl]butanoate;amino 3-[2-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1,3-oxazol-4-yl]propanoate;1-hydroxy-5-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]pentan-2-one;1-hydroxy-4-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]butan-2-one;N-hydroxy-3-[5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-3-methylthiophen-2-yl]propanamide;N-hydroxy-2-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-1,3-oxazol-2-yl]pentan-3-yl]-2-methylphenoxy]acetamide has a molecular weight of 2712.71 g/mol, XLogP of 30.45, 65 rotatable bonds, 14 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for amino 4-[2-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1,3-oxazol-4-yl]butanoate;amino 3-[2-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1,3-oxazol-4-yl]propanoate;1-hydroxy-5-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]pentan-2-one;1-hydroxy-4-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]butan-2-one;N-hydroxy-3-[5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-3-methylthiophen-2-yl]propanamide;N-hydroxy-2-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-1,3-oxazol-2-yl]pentan-3-yl]-2-methylphenoxy]acetamide is sourced from PubChem (CID 157302216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).