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Substance Name: 3-Chloropropyl-S-carbamoylglutathione
RN: 118995-83-8
InChIKey: KLFLBSPTJYWOAI-AJNGGQMLSA-N

Molecular Weight

  • 734.201
 
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Names and Synonyms

Synonym

  • CCRIS 3038

Systematic Name

  • 3-Chloropropyl-S-carbamoylglutathione

Registry Numbers

CAS Registry Number

  • 118995-83-8

System Generated Number

  • 0118995838

Structure Descriptors

InChI

1S/C24H39ClN7O13S2/c25-6-1-7-32(9-19(37)38)21(40)15(31-17(34)5-3-13(27)23(43)44)11-47(24(28)45)46-10-14(20(39)29-8-18(35)36)30-16(33)4-2-12(26)22(41)42/h12-15H,1-11,26-27H2,(H2,28,45)(H,29,39)(H,30,33)(H,31,34)(H,35,36)(H,37,38)(H,41,42)(H,43,44)/t12-,13-,14-,15-/m0/s1

InChIKey

KLFLBSPTJYWOAI-AJNGGQMLSA-N

Smiles

O=C(N(CC(O)=O)CCCCl)[C@H](C[S@@](SC[C@H](NC(CC[C@H](N)C(O)=O)=O)C(NCC(O)=O)=O)C(N)=O)NC(CC[C@H](N)C(O)=O)=O