4-(1,3-Benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid, (2S,3S,4R)-, 95%

cas: 173864-34-1 — see every product listed under this CAS number, including other names

4-(1,3-Benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid, (2S,3S,4R)-, 95% (CAS 173864-34-1) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberACEKMN830
cas173864-34-1
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purity95%
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Structural formula: {0} (CAS {1})

(2S,3S,4R)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid (CAS 173864-34-1) is a chemical compound with the molecular formula C29H38N2O6 and a molecular weight of 510.6 g/mol. IUPAC name: (2S,3S,4R)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid. InChIKey: MOTJMGVDPWRKOC-MXSCXNJPSA-N.

Identity
Molecular formulaC29H38N2O6
Molecular weight510.6 g/mol
IUPAC name(2S,3S,4R)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
InChIKeyMOTJMGVDPWRKOC-MXSCXNJPSA-N
SMILESCCCCN(CCCC)C(=O)CN1C[C@H]([C@@H]([C@H]1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4

Computed by PubChem (NCBI)

Synonyms: Atrasentan Impurity 159 (2S,3S,4R)
Related forms of this compound
(2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid C29H38N2O6
(2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid C29H38N2O6
Isomers (same molecular formula)
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]hexanoic acid C29H38N2O6
[(1S,2S,6R,14R,15R,16R)-5-cyano-16-(2-hydroxy-3,3-dimethylbutan-2-yl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-yl] ethyl carbonate C29H38N2O6
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]hexanoic acid C29H38N2O6
(1Z,3Z,5R,8S,9S,10S,11S,13R,15R,16R,18Z)-11-ethyl-2,24-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.08,15.09,13]octacosa-1,3,18-triene-7,20,27,28-tetrone C29H38N2O6
(3E,18Z)-11-ethyl-2,24-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.08,15.09,13]octacosa-1,3,18-triene-7,20,27,28-tetrone C29H38N2O6
(3R,4R,5S)-4-acetamido-5-[[4-[(3-methoxyphenyl)methoxy]phenyl]methylamino]-3-pentan-3-yloxycyclohexene-1-carboxylic acid C29H38N2O6

Also listed as

(2S,3S,4R)-4-(1,3-Benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid, 95% Chemat CAS 173864-34-1