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Substance Name: MDL 27788
RN: 116360-59-9
InChIKey: DIAAFWDWJARFMW-BURNTYAHSA-N

Molecular Formula

  • C24-H26-N2-O5-S

Molecular Weight

  • 454.5444
 
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Names and Synonyms

Name of Substance

  • MDL 27788

Synonyms

  • 7-(1-Carboxy-3-phenylpropyl)amino-3,4,6,7,8,12b-hexahydro-6-oxo-1H-(1,4)thiazino(3,4-a)-2-benzazepine-4-carboxylic acid
  • Mdl-27,788

Systematic Name

  • 1H-(1,4)Thiazino(3,4-a)(2)benzazepine-4-carboxylic acid, 7-((1-carboxy-3-phenylpropyl)amino)-3,4,6,7,8,12b-hexahydro-6-oxo-, (4R-(4alpha,7alpha(S*),12beta))-

Registry Numbers

CAS Registry Number

  • 116360-59-9

System Generated Number

  • 0116360599

Structure Descriptors

InChI

1S/C24H26N2O5S/c27-22-19(25-18(23(28)29)11-10-15-6-2-1-3-7-15)12-16-8-4-5-9-17(16)20-13-32-14-21(24(30)31)26(20)22/h1-9,18-21,25H,10-14H2,(H,28,29)(H,30,31)/t18-,19-,20+,21-/m0/s1

InChIKey

DIAAFWDWJARFMW-BURNTYAHSA-N

Smiles

c1ccc(cc1)CC[C@@H](C(=O)O)N[C@H]2Cc3ccccc3[C@H]4CSC[C@H](N4C2=O)C(=O)O