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Home > Encyclopedia > 2-(1-carboxy-2-hydroxypropyl)-4-[5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid

2-(1-carboxy-2-hydroxypropyl)-4-[5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid

2-(1-carboxy-2-hydroxypropyl)-4-[5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid structure

2-(1-carboxy-2-hydroxypropyl)-4-[5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid 

structure
  • CAS No:

    124190-28-9

  • Formula:

    C17H27N3O6S

  • Chemical Name:

    2-(1-carboxy-2-hydroxypropyl)-4-[5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid

  • Synonyms:

    2-(1-carboxy-2-hydroxypropyl)-4-{[5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3-methyl-3,4-dihydro-2h-pyrrole-5-carboxylic acid; H-4295; Ici-213,689;

2-(1-carboxy-2-hydroxypropyl)-4-[5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid Basic Attributes

401.47800

401.16205676 g/mol

Characteristics

164.83000

-0.70320

1.52g/cm3

678ºC

363.8ºC

1.664

2.71E-21mmHg at 25°C

Drug Information

H 4295

Computed Properties

Molecular Weight:401.5
XLogP3:-2.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:401.16205676
Monoisotopic Mass:401.16205676
Topological Polar Surface Area:165
Heavy Atom Count:27
Complexity:640
Undefined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 2-(1-carboxy-2-hydroxypropyl)-4-[5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid

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