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Substance Name: Trihydrogen (N-((2S)-2-(bis(carboxymethyl)amino)-3-(p-ethoxyphenyl)-propyl)-N-(2-(bis(carboxymethyl)amino)ethyl)glycinato(5-)calciate(3-).
RN: 135306-78-4
InChIKey: AQOXEJNYXXLRQQ-UHFFFAOYSA-N

Molecular Formula

  • C23-H31-Ca-N3-O11

Molecular Weight

  • 527.5237
 
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Names and Synonyms

Synonym

  • Trihydrogen (N-((2S)-2-(bis(carboxymethyl)amino)-3-(p-ethoxyphenyl)propyl)-N-(2-(bis(carboxymethyl)amino)ethyl)glycinato(5-))calciate(3-)

Systematic Name

  • Trihydrogen (N-((2S)-2-(bis(carboxymethyl)amino)-3-(p-ethoxyphenyl)-propyl)-N-(2-(bis(carboxymethyl)amino)ethyl)glycinato(5-)calciate(3-).

Registry Numbers

CAS Registry Number

  • 135306-78-4

System Generated Number

  • 0135306784

Structure Descriptors

InChI

1S/C23H33N3O11/c1-2-37-18-5-3-16(4-6-18)9-17(26(14-22(33)34)15-23(35)36)10-24(11-19(27)28)7-8-25(12-20(29)30)13-21(31)32/h3-6,17H,2,7-15H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)

InChIKey

AQOXEJNYXXLRQQ-UHFFFAOYSA-N

Smiles

CCOc1ccc(cc1)CC(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O