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Substance Name: Prototapen
RN: 80042-41-7
InChIKey: HIPBWZZGQFEBCC-GJUCOGTPSA-N

Molecular Weight

  • 634.7712
 
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Names and Synonyms

Name of Substance

  • Prototapen

Systematic Name

  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((aminophenylacetyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6beta(S*)))-, mixt. with 4-((dipropylamino)sulfonyl)benzoic acid

Registry Numbers

CAS Registry Number

  • 80042-41-7

System Generated Number

  • 0080042417

Structure Descriptors

InChI

1S/C16H19N3O4S.C13H19NO4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8;1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);5-8H,3-4,9-10H2,1-2H3,(H,15,16)/t9?,10-,11+,14-;/m1./s1

InChIKey

HIPBWZZGQFEBCC-GJUCOGTPSA-N

Smiles

CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)O.CC2(C)S[C@@H]3[C@H](NC(=O)C(N)c4ccccc4)C(=O)N3[C@H]2C(=O)O