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Substance Name: Butanoic acid, 4-((2-((4-methoxybenzoyl)amino)-1-oxo-3-phenylpropyl)(4-methoxyphenyl)amino)-, (S)-
RN: 71455-81-7
InChIKey: NVJRROHAYKJZIV-VWLOTQADSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H30-N2-O6

Molecular Weight

  • 490.553
 
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Names and Synonyms

Synonym

  • N-(N-(p-Methoxybenzoyl)phenylalanyl)-4-(p-anisidino)butyric acid

Systematic Name

  • Butanoic acid, 4-((2-((4-methoxybenzoyl)amino)-1-oxo-3-phenylpropyl)(4-methoxyphenyl)amino)-, (S)-

Registry Numbers

CAS Registry Number

  • 71455-81-7

System Generated Number

  • 0071455817

Structure Descriptors

InChI

1S/C28H30N2O6/c1-35-23-14-10-21(11-15-23)27(33)29-25(19-20-7-4-3-5-8-20)28(34)30(18-6-9-26(31)32)22-12-16-24(36-2)17-13-22/h3-5,7-8,10-17,25H,6,9,18-19H2,1-2H3,(H,29,33)(H,31,32)/t25-/m0/s1

InChIKey

NVJRROHAYKJZIV-VWLOTQADSA-N

Smiles

COc1ccc(cc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(CCCC(=O)O)c3ccc(cc3)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   United States Patent Document. Vol. #4250183,