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Substance Name: Bis(6-chloro)triostin A
RN: 85502-72-3
InChIKey: ZFVGYAKBACSCRV-UHFFFAOYSA-N

Molecular Formula

  • C50-H60-Cl2-N12-O12-S2

Molecular Weight

  • 1156.13
 
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Names and Synonyms

Results Name

  • Bis(6-chloro)triostin A

Synonyms

  • 1-(N-((6-Chloro-2-quinoxalinyl)carbonyl)-D-serine)-5-(N-((6-chloro-2-quinoxalinyl)carbonyl)-D-serine)triostin A
  • Bis(6-chloro)triostin A

Systematic Name

  • Triostin A, 1-(N-((6-chloro-2-quinoxalinyl)carbonyl)-D-serine)-5-(N-((6-chloro-2-quinoxalinyl)carbonyl)-D-serine)-

Registry Numbers

CAS Registry Number

  • 85502-72-3

System Generated Number

  • 0085502723

Structure Descriptors

InChI

1S/C50H60Cl2N12O12S2/c1-23(2)39-49(73)75-19-35(59-41(65)33-17-53-31-15-27(51)11-13-29(31)57-33)43(67)55-26(6)46(70)62(8)38-22-78-77-21-37(47(71)63(39)9)61(7)45(69)25(5)56-44(68)36(20-76-50(74)40(24(3)4)64(10)48(38)72)60-42(66)34-18-54-32-16-28(52)12-14-30(32)58-34/h11-18,23-26,35-40H,19-22H2,1-10H3,(H,55,67)(H,56,68)(H,59,65)(H,60,66)

InChIKey

ZFVGYAKBACSCRV-UHFFFAOYSA-N

Smiles

c1cc2nc(cnc2cc1Cl)C(N[C@@H]1COC([C@@H](N(C([C@@H]2N(C(=O)[C@@H](C)NC(=O)[C@@H](NC(c3cnc4c(ccc(c4)Cl)n3)=O)COC(=O)[C@@H](N(C([C@@H](N(C([C@@H](NC1=O)C)=O)C)CSSC2)=O)C)C(C)C)C)=O)C)C(C)C)=O)=O