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Substance Name: Bencylina-1
RN: 77372-70-4
InChIKey: YZFPPFDBVLXRED-FXQXEVIPSA-M

Molecular Weight

  • 513.5476
 
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Names and Synonyms

Name of Substance

  • Bencylina-1

Synonym

  • 6-(3-Benzhydryl-5-methylisoxazolyl-4'-carboxyamido)penicillanic acid

Systematic Name

  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((3-(diphenylmethyl)-5-methyl-4-isoxazolyl)carbonyl)amino)-3,3-dimethyl-7-oxo-, monosodium salt, (2S-(2alpha,5alpha,6beta))-

Registry Numbers

CAS Registry Number

  • 77372-70-4

System Generated Number

  • 0077372704

Structure Descriptors

InChI

1S/C26H25N3O5S.Na/c1-14-17(22(30)27-20-23(31)29-21(25(32)33)26(2,3)35-24(20)29)19(28-34-14)18(15-10-6-4-7-11-15)16-12-8-5-9-13-16;/h4-13,18,20-21,24H,1-3H3,(H,27,30)(H,32,33);/q;+1/p-1/t20?,21-,24+;/m0./s1

InChIKey

YZFPPFDBVLXRED-FXQXEVIPSA-M

Smiles

[Na+].Cc1onc(C(c2ccccc2)c3ccccc3)c1C(=O)NC4[C@H]5SC(C)(C)[C@@H](N5C4=O)C(=O)[O-]