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Substance Name: Calcium bis(N-(4-chlorobenzoyl)-L-tryptophanate)
RN: 56116-62-2
InChIKey: BTTZKEFKFLGNEC-WUBQCMAVSA-L

Molecular Formula

  • C18-H15-Cl-N2-O3.1/2Ca

Molecular Weight

  • 723.6232
 
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Names and Synonyms

Synonym

  • EINECS 260-001-9

Systematic Name

  • Calcium bis(N-(4-chlorobenzoyl)-L-tryptophanate)

Registry Numbers

CAS Registry Number

  • 56116-62-2

System Generated Number

  • 0056116622

Molecular Formulas

Molecular Formula

  • C18-H15-Cl-N2-O3.1/2Ca

Molecular Formula Fragments

  • C18-H15-Cl-N2-O3
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/2C18H15ClN2O3.Ca/c2*19-13-7-5-11(6-8-13)17(22)21-16(18(23)24)9-12-10-20-15-4-2-1-3-14(12)15;/h2*1-8,10,16,20H,9H2,(H,21,22)(H,23,24);/q;;+2/p-2/t2*16-;/m00./s1

InChIKey

BTTZKEFKFLGNEC-WUBQCMAVSA-L

Smiles

c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)[O-])NC(=O)c3ccc(cc3)Cl.c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)[O-])NC(=O)c3ccc(cc3)Cl.[Ca+2]