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Substance Name: Bis(3-amino)triostin A
RN: 85502-71-2
InChIKey: SRJRNFRLRQNCBB-UHFFFAOYSA-N

Molecular Formula

  • C50-H64-N14-O12-S2

Molecular Weight

  • 1117.27
 
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Names and Synonyms

Results Name

  • Bis(3-amino)triostin A

Synonym

  • Bis(3-amino)triostin A

Systematic Name

  • Triostin A, 1-(N-((3-amino-2-quinoxalinyl)carbonyl)-D-serine)-5-(N-((3-amino-2-quinoxalinyl)carbonyl)-D-serine)-

Registry Numbers

CAS Registry Number

  • 85502-71-2

System Generated Number

  • 0085502712

Structure Descriptors

InChI

1S/C50H64N14O12S2/c1-23(2)37-49(73)75-19-31(59-43(67)35-39(51)57-29-17-13-11-15-27(29)55-35)41(65)53-26(6)46(70)62(8)34-22-78-77-21-33(47(71)63(37)9)61(7)45(69)25(5)54-42(66)32(20-76-50(74)38(24(3)4)64(10)48(34)72)60-44(68)36-40(52)58-30-18-14-12-16-28(30)56-36/h11-18,23-26,31-34,37-38H,19-22H2,1-10H3,(H2,51,57)(H2,52,58)(H,53,65)(H,54,66)(H,59,67)(H,60,68)

InChIKey

SRJRNFRLRQNCBB-UHFFFAOYSA-N

Smiles

c1cc2nc(c(N)nc2cc1)C(N[C@@H]1COC([C@@H](N(C([C@@H]2N(C(=O)[C@@H](C)NC(=O)[C@@H](NC(c3c(nc4ccccc4n3)N)=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