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Substance Name: 1-Butanaminium, N,N,N-tributyl-, salt with (2S-(2alpha,5alpha,6beta(S*)))-6-((((3-methoxy-1-methyl-3-oxo-1-propenyl)amino)phenylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid (1:1)
RN: 87343-53-1
InChIKey: BVWSBHZLYAPKJF-FIFSFEKOSA-M

Molecular Formula

  • C21-H24-N3-O6-S.C16-H36-N

Molecular Weight

  • 688.969
 
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Names and Synonyms

Synonym

  • EINECS 289-313-3

Systematic Name

  • 1-Butanaminium, N,N,N-tributyl-, salt with (2S-(2alpha,5alpha,6beta(S*)))-6-((((3-methoxy-1-methyl-3-oxo-1-propenyl)amino)phenylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid (1:1)

Registry Numbers

CAS Registry Number

  • 87343-53-1

System Generated Number

  • 0087343531

Molecular Formulas

Molecular Formula

  • C21-H24-N3-O6-S.C16-H36-N

Molecular Formula Fragments

  • C16-H36-N
  • C21-H24-N3-O6-S
  • COMPONENT

Structure Descriptors

InChI

1S/C21H25N3O6S.C16H36N/c1-11(10-13(25)30-4)22-14(12-8-6-5-7-9-12)17(26)23-15-18(27)24-16(20(28)29)21(2,3)31-19(15)24;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-10,14-16,19,22H,1-4H3,(H,23,26)(H,28,29);5-16H2,1-4H3/q;+1/p-1/b11-10+;/t14?,15-,16+,19-;/m1./s1

InChIKey

BVWSBHZLYAPKJF-FIFSFEKOSA-M

Smiles

N12[C@@H]([C@@H](C1=O)NC(=O)C(N/C(=C/C(=O)OC)C)c1ccccc1)SC([C@@H]2C(=O)[O-])(C)C.[N+](CCCC)(CCCC)(CCCC)CCCC