3-[[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]acetyl]amino]propanoic acid;2-[4-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;3-[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethoxy]propanoic acid;5-[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;2-[5-[[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;5-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]pentanoic acid

C161H171N9O34 — CID 158090539

IUPAC3-[[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]acetyl]amino]propanoic acid;2-[4-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;3-[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethoxy]propanoic acid;5-[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;2-[5-[[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;5-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]pentanoic acid
SMILES[2H]C(c1ccccc1OC1CCC(CC(=O)O)CC1)N(C(=O)c1ccc(-c2ccco2)cc1)C(C)C.[2H]C(c1ccccc1OCC(=O)NCCC(=O)O)N(C(=O)c1ccc(-c2ccco2)cc1)C(C)C.[2H]C(c1ccccc1OCCCCC(=O)O)N(C(=O)c1ccc(-c2ccco2)cc1)C(C)C.[2H]C(c1ccccc1OCCOCCC(=O)O)N(C(=O)c1ccc(-c2ccco2)cc1)C(C)C.[2H]C(c1ccccc1OCCc1cc(C(=O)O)no1)N(C(=O)c1ccc(-c2ccco2)cc1)C(C)C.[2H]C(c1ccccc1OCc1cc(CC(=O)O)no1)N(C(=O)c1ccc(-c2ccco2)cc1)C(C)C
InChIInChI=1S/C29H33NO5.2C27H26N2O6.C26H28N2O6.C26H29NO6.C26H29NO5/c1-20(2)30(29(33)23-13-11-22(12-14-23)26-8-5-17-34-26)19-24-6-3-4-7-27(24)35-25-15-9-21(10-16-25)18-28(31)32;1-18(2)29(26(30)20-11-9-19(10-12-20)24-8-5-14-33-24)17-21-6-3-4-7-25(21)34-15-13-22-16-23(27(31)32)28-35-22;1-18(2)29(27(32)20-11-9-19(10-12-20)24-8-5-13-33-24)16-21-6-3-4-7-25(21)34-17-23-14-22(28-35-23)15-26(30)31;1-18(2)28(26(32)20-11-9-19(10-12-20)22-8-5-15-33-22)16-21-6-3-4-7-23(21)34-17-24(29)27-14-13-25(30)31;1-19(2)27(26(30)21-11-9-20(10-12-21)23-8-5-14-32-23)18-22-6-3-4-7-24(22)33-17-16-31-15-13-25(28)29;1-19(2)27(26(30)21-14-12-20(13-15-21)23-10-7-17-32-23)18-22-8-3-4-9-24(22)31-16-6-5-11-25(28)29/h3-8,11-14,17,20-21,25H,9-10,15-16,18-19H2,1-2H3,(H,31,32);3-12,14,16,18H,13,15,17H2,1-2H3,(H,31,32);3-14,18H,15-17H2,1-2H3,(H,30,31);3-12,15,18H,13-14,16-17H2,1-2H3,(H,27,29)(H,30,31);3-12,14,19H,13,15-18H2,1-2H3,(H,28,29);3-4,7-10,12-15,17,19H,5-6,11,16,18H2,1-2H3,(H,28,29)/i19D;17D;2*16D;2*18D
InChIKeyFOAVNHWOXCEIFD-OZTFPOBASA-N
MW2782.20 g/mol
LogP31.37
Rot. Bonds63

About 3-[[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]acetyl]amino]propanoic acid;2-[4-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;3-[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethoxy]propanoic acid;5-[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;2-[5-[[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;5-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]pentanoic acid

3-[[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]acetyl]amino]propanoic acid;2-[4-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;3-[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethoxy]propanoic acid;5-[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;2-[5-[[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;5-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]pentanoic acid (PubChem CID 158090539) has the molecular formula C161H171N9O34 and a molecular weight of 2782.20 g/mol. Its IUPAC name is 3-[[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]acetyl]amino]propanoic acid;2-[4-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;3-[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethoxy]propanoic acid;5-[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;2-[5-[[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;5-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]pentanoic acid.

Molecular Properties

Compound Name3-[[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]acetyl]amino]propanoic acid;2-[4-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;3-[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethoxy]propanoic acid;5-[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;2-[5-[[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;5-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]pentanoic acid
PubChem CID158090539
Molecular FormulaC161H171N9O34
Molecular Weight2782.20 g/mol
Exact Mass2780.23
IUPAC Name3-[[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]acetyl]amino]propanoic acid;2-[4-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;3-[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethoxy]propanoic acid;5-[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;2-[5-[[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;5-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]pentanoic acid
SMILES[2H]C(c1ccccc1OC1CCC(CC(=O)O)CC1)N(C(=O)c1ccc(-c2ccco2)cc1)C(C)C.[2H]C(c1ccccc1OCC(=O)NCCC(=O)O)N(C(=O)c1ccc(-c2ccco2)cc1)C(C)C.[2H]C(c1ccccc1OCCCCC(=O)O)N(C(=O)c1ccc(-c2ccco2)cc1)C(C)C.[2H]C(c1ccccc1OCCOCCC(=O)O)N(C(=O)c1ccc(-c2ccco2)cc1)C(C)C.[2H]C(c1ccccc1OCCc1cc(C(=O)O)no1)N(C(=O)c1ccc(-c2ccco2)cc1)C(C)C.[2H]C(c1ccccc1OCc1cc(CC(=O)O)no1)N(C(=O)c1ccc(-c2ccco2)cc1)C(C)C
InChIInChI=1S/C29H33NO5.2C27H26N2O6.C26H28N2O6.C26H29NO6.C26H29NO5/c1-20(2)30(29(33)23-13-11-22(12-14-23)26-8-5-17-34-26)19-24-6-3-4-7-27(24)35-25-15-9-21(10-16-25)18-28(31)32;1-18(2)29(26(30)20-11-9-19(10-12-20)24-8-5-14-33-24)17-21-6-3-4-7-25(21)34-15-13-22-16-23(27(31)32)28-35-22;1-18(2)29(27(32)20-11-9-19(10-12-20)24-8-5-13-33-24)16-21-6-3-4-7-25(21)34-17-23-14-22(28-35-23)15-26(30)31;1-18(2)28(26(32)20-11-9-19(10-12-20)22-8-5-15-33-22)16-21-6-3-4-7-23(21)34-17-24(29)27-14-13-25(30)31;1-19(2)27(26(30)21-11-9-20(10-12-21)23-8-5-14-32-23)18-22-6-3-4-7-24(22)33-17-16-31-15-13-25(28)29;1-19(2)27(26(30)21-14-12-20(13-15-21)23-10-7-17-32-23)18-22-8-3-4-9-24(22)31-16-6-5-11-25(28)29/h3-8,11-14,17,20-21,25H,9-10,15-16,18-19H2,1-2H3,(H,31,32);3-12,14,16,18H,13,15,17H2,1-2H3,(H,31,32);3-14,18H,15-17H2,1-2H3,(H,30,31);3-12,15,18H,13-14,16-17H2,1-2H3,(H,27,29)(H,30,31);3-12,14,19H,13,15-18H2,1-2H3,(H,28,29);3-4,7-10,12-15,17,19H,5-6,11,16,18H2,1-2H3,(H,28,29)/i19D;17D;2*16D;2*18D
InChIKeyFOAVNHWOXCEIFD-OZTFPOBASA-N
XLogP31.37
TPSA570.27 Ų
H-Bond Donors7
H-Bond Acceptors30
Rotatable Bonds63
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002782.20
LogP ≤ 531.37
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 3-[[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]acetyl]amino]propanoic acid;2-[4-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;3-[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethoxy]propanoic acid;5-[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;2-[5-[[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;5-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-[2-[Deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;2-[5-[[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid
CID 121270159
(3S,4S)-4-[5-(furan-2-yl)-1,2-oxazol-3-yl]-1,4-dihydroxy-3-methyl-3-[(4-phenylphenyl)methoxy]butan-2-one;(4S)-3-[(2S,3S)-3-[5-(furan-2-yl)-1,2-oxazol-3-yl]-3-hydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne
CID 123909501
6-[2-[[[2-fluoro-4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[3-fluoro-4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[[4-(furan-2-yl)phenyl]methyl-propan-2-ylcarbamoyl]phenoxy]hexanoic acid;6-[2-[[[1-(furan-2-yl)piperidine-4-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[2-[4-(furan-2-yl)-N-propan-2-ylanilino]-2-oxoethyl]phenoxy]hexanoic acid
CID 157268771
5-(2,4-dihydroxy-6-phenylmethoxyphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;1-(2,4-dimethyl-6-phenylmethoxyphenyl)ethanone;5-(2,4-dimethyl-6-phenylmethoxyphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;ethyl 4-(2,4-dimethyl-6-phenylmethoxyphenyl)-2,4-dioxobutanoate;ethyl 5-(2,4-dimethyl-6-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylate;1-(2-hydroxy-4,6-dimethylphenyl)ethanone
CID 157316066
5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-iodo-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;ethyl 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-1,2-oxazole-3-carboxylate;(4-formylphenyl)boronic acid
CID 157383577
2-[4-[2-[[2-Deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]cyclohexyl]acetic acid;2-[5-[[2-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;2-[4-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;2-[5-[[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;5-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]pentanoic acid
CID 157433613
2-[2-[(S)-(2-amino-2-methylpropoxy)-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]acetamide;2-[2-[(R)-(2-amino-2-methylpropoxy)-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]acetamide
CID 157498866
1-[5-tert-butyl-2,4-bis(phenylmethoxy)phenyl]ethanone;5-[5-tert-butyl-2,4-bis(phenylmethoxy)phenyl]-N-ethyl-4-iodo-1,2-oxazole-3-carboxamide;5-[5-tert-butyl-2,4-bis(phenylmethoxy)phenyl]-N-ethyl-1,2-oxazole-3-carboxamide;1-(5-tert-butyl-2,4-dihydroxyphenyl)ethanone;1-(2,4-dihydroxyphenyl)ethanone;ethyl 4-[5-tert-butyl-2,4-bis(phenylmethoxy)phenyl]-4-hydroxy-2-oxobut-3-enoate;ethyl 5-[5-tert-butyl-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate
CID 157509804
3-Benzylazetidine;(3-benzylazetidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid
CID 157639072
3-[[2-[2-[[[4-(Furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]acetyl]amino]propanoic acid;2-[4-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;3-[2-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethoxy]propanoic acid;2-[5-[[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;3-[4-[[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,3-thiazol-2-yl]propanoic acid;5-[2-[[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]pentanoic acid
CID 157709634
3-[[2-[2-[Deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]acetyl]amino]propanoic acid;2-[4-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;3-[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethoxy]propanoic acid;2-[5-[[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;3-[4-[[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,3-thiazol-2-yl]propanoic acid;5-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]pentanoic acid
CID 157709635
5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-N-(2-fluoroethyl)-1,2-oxazole-3-carboxamide;ethyl 5-[4-methyl-2-(4-nitrophenoxy)-6-phenylmethoxyphenyl]-1,2-oxazole-3-carboxylate;N-(2-fluoroethyl)-5-[4-methyl-2-(4-nitrophenoxy)-6-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;5-[4-methyl-2-(4-nitrophenoxy)-6-phenylmethoxyphenyl]-1,2-oxazole-3-carboxylic acid
CID 157759248

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]acetyl]amino]propanoic acid;2-[4-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;3-[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethoxy]propanoic acid;5-[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;2-[5-[[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;5-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]pentanoic acid?
The IUPAC name of 3-[[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]acetyl]amino]propanoic acid;2-[4-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;3-[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethoxy]propanoic acid;5-[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;2-[5-[[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;5-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]pentanoic acid (CID 158090539) is 3-[[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]acetyl]amino]propanoic acid;2-[4-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;3-[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethoxy]propanoic acid;5-[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;2-[5-[[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;5-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]pentanoic acid.
What is the SMILES notation for 3-[[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]acetyl]amino]propanoic acid;2-[4-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;3-[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethoxy]propanoic acid;5-[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;2-[5-[[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;5-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]pentanoic acid?
The canonical SMILES for 3-[[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]acetyl]amino]propanoic acid;2-[4-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;3-[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethoxy]propanoic acid;5-[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;2-[5-[[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;5-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]pentanoic acid is [2H]C(c1ccccc1OC1CCC(CC(=O)O)CC1)N(C(=O)c1ccc(-c2ccco2)cc1)C(C)C.[2H]C(c1ccccc1OCC(=O)NCCC(=O)O)N(C(=O)c1ccc(-c2ccco2)cc1)C(C)C.[2H]C(c1ccccc1OCCCCC(=O)O)N(C(=O)c1ccc(-c2ccco2)cc1)C(C)C.[2H]C(c1ccccc1OCCOCCC(=O)O)N(C(=O)c1ccc(-c2ccco2)cc1)C(C)C.[2H]C(c1ccccc1OCCc1cc(C(=O)O)no1)N(C(=O)c1ccc(-c2ccco2)cc1)C(C)C.[2H]C(c1ccccc1OCc1cc(CC(=O)O)no1)N(C(=O)c1ccc(-c2ccco2)cc1)C(C)C.
What is the InChIKey of 3-[[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]acetyl]amino]propanoic acid;2-[4-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;3-[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethoxy]propanoic acid;5-[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;2-[5-[[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;5-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]pentanoic acid?
The InChIKey is FOAVNHWOXCEIFD-OZTFPOBASA-N. The full InChI is InChI=1S/C29H33NO5.2C27H26N2O6.C26H28N2O6.C26H29NO6.C26H29NO5/c1-20(2)30(29(33)23-13-11-22(12-14-23)26-8-5-17-34-26)19-24-6-3-4-7-27(24)35-25-15-9-21(10-16-25)18-28(31)32;1-18(2)29(26(30)20-11-9-19(10-12-20)24-8-5-14-33-24)17-21-6-3-4-7-25(21)34-15-13-22-16-23(27(31)32)28-35-22;1-18(2)29(27(32)20-11-9-19(10-12-20)24-8-5-13-33-24)16-21-6-3-4-7-25(21)34-17-23-14-22(28-35-23)15-26(30)31;1-18(2)28(26(32)20-11-9-19(10-12-20)22-8-5-15-33-22)16-21-6-3-4-7-23(21)34-17-24(29)27-14-13-25(30)31;1-19(2)27(26(30)21-11-9-20(10-12-21)23-8-5-14-32-23)18-22-6-3-4-7-24(22)33-17-16-31-15-13-25(28)29;1-19(2)27(26(30)21-14-12-20(13-15-21)23-10-7-17-32-23)18-22-8-3-4-9-24(22)31-16-6-5-11-25(28)29/h3-8,11-14,17,20-21,25H,9-10,15-16,18-19H2,1-2H3,(H,31,32);3-12,14,16,18H,13,15,17H2,1-2H3,(H,31,32);3-14,18H,15-17H2,1-2H3,(H,30,31);3-12,15,18H,13-14,16-17H2,1-2H3,(H,27,29)(H,30,31);3-12,14,19H,13,15-18H2,1-2H3,(H,28,29);3-4,7-10,12-15,17,19H,5-6,11,16,18H2,1-2H3,(H,28,29)/i19D;17D;2*16D;2*18D.
What are the key properties of 3-[[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]acetyl]amino]propanoic acid;2-[4-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;3-[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethoxy]propanoic acid;5-[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;2-[5-[[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;5-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]pentanoic acid?
3-[[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]acetyl]amino]propanoic acid;2-[4-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;3-[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethoxy]propanoic acid;5-[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;2-[5-[[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;5-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]pentanoic acid has a molecular weight of 2782.20 g/mol, XLogP of 31.37, 63 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]acetyl]amino]propanoic acid;2-[4-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]cyclohexyl]acetic acid;3-[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethoxy]propanoic acid;5-[2-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]ethyl]-1,2-oxazole-3-carboxylic acid;2-[5-[[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]methyl]-1,2-oxazol-3-yl]acetic acid;5-[2-[deuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]phenoxy]pentanoic acid is sourced from PubChem (CID 158090539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).