 Home > Encyclopedia > (5S,6R,7R)-5-(1,3-benzodioxol-5-yl)-2-butyl-7-[2-[(2S)-2-carboxypropyl]-4-methoxyphenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid

(5S,6R,7R)-5-(1,3-benzodioxol-5-yl)-2-butyl-7-[2-[(2S)-2-carboxypropyl]-4-methoxyphenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid

(5S,6R,7R)-5-(1,3-benzodioxol-5-yl)-2-butyl-7-[2-[(2S)-2-carboxypropyl]-4-methoxyphenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid structure

CAS No:
198279-45-7
Formula:
C31H33NO7
Chemical Name:
(5S,6R,7R)-5-(1,3-benzodioxol-5-yl)-2-butyl-7-[2-[(2S)-2-carboxypropyl]-4-methoxyphenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid
Synonyms:
2-butyl-7-(2-((2S)-2-carboxypropyl)-4-methoxyphenyl)-5-(4-methylenedioxyphenyl)cyclopenteno(1,2-b)pyridine-6-carboxylic;J 104132;J-104132;L 753037;L-753,037;J-104132;198279-45-7;UNII-N71Z6M3T0I;CHEMBL305576;N71Z6M3T0I;(5S,6R,7R)-5-(Benzo[d][1,3]dioxol-5-yl)-2-butyl-7-(2-((S)-2-carboxypropyl)-4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid;MK-547 parent;J 104132;L-753,037;SCHEMBL6439800;DTXSID9047332;ZINC3950913;BDBM50143784;PDSP2_001713;CS-5666;2-butyl-7-(2-((2S)-2-carboxypropyl)-4-methoxyphenyl)-5-(4-methylenedioxyphenyl)cyclopenteno(1,2-b)pyridine-6-carboxylic;HY-10383;Q27284642;(5S,6R,7R)-5-(1,3-benzodioxol-5-yl)-2-butyl-7-[2-[(2S)-2-carboxypropyl]-4-methoxyphenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid;(5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-2-butyl-7-[2-((S)-2-carboxy-propyl)-4-methoxy-phenyl]-6,7-dihydro-5H-[1]pyrindine-6-carboxylic acid;5H-Cyclopenta(b)pyridine-6-carboxylic acid, 5-(1,3-benzodioxol-5-yl)-2-butyl-7-(2-((2S)-2-carboxypropyl)-4-methoxyphenyl)-6,7-dihydro-, (5S,6R,7R)-;5H-Cyclopenta(b)pyridine-6-carboxylic acid, 5-(1,3-benzodioxol-5-yl)-2-butyl-7-(2-(2-carboxypropyl)-4-methoxyphenyl)-6,7-dihydro-, (5S-(5alpha,6beta,7alpha(R*)))-

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(5S,6R,7R)-5-(1,3-benzodioxol-5-yl)-2-butyl-7-[2-[(2S)-2-carboxypropyl]-4-methoxyphenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid Basic Attributes

Molecular Weight：

531.6 g/mol

Exact Mass：

531.22570239 g/mol

UNII：

N71Z6M3T0I

DSSTox ID：

DTXSID9047332

Characteristics

PSA：

115 Å²

XLogP3：

5.40290

Drug Information

MeSH：

Compounds and drugs that bind to and inhibit or block the activation of ENDOTHELIN RECECPTORS. (See all compounds classified as Endothelin Receptor Antagonists.)

MeSH Entry Terms：

2-butyl-7-(2-((2S)-2-carboxypropyl)-4-methoxyphenyl)-5-(4-methylenedioxyphenyl)cyclopenteno(1,2-b)pyridine-6-carboxylic

Computed Properties

Molecular Weight:531.6
XLogP3:5.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:10
Exact Mass:531.22570239
Monoisotopic Mass:531.22570239
Topological Polar Surface Area:115
Heavy Atom Count:39
Complexity:853
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (5S,6R,7R)-5-(1,3-benzodioxol-5-yl)-2-butyl-7-[2-[(2S)-2-carboxypropyl]-4-methoxyphenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid

Basic Attributes
Characteristics
Drug Information
Computed Properties
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