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Substance Name: Thiocoraline
RN: 173046-02-1
InChIKey: UPGGKUQISSWRJJ-XLTUSUNSSA-N

Note

  • A depsipeptide from marine actinomycete, Micromonospora.

Molecular Weight

  • 1157.4244
 
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Names and Synonyms

  • Thiocoraline

Registry Numbers

CAS Registry Number

  • 173046-02-1

System Generated Number

  • 0173046021

Structure Descriptors

InChI

1S/C48H56N10O12S6/c1-55-31-23-75-76-24-32(46(68)58(4)34(22-72-6)48(70)74-19-29(41(63)49-17-37(55)61)53-43(65)39-35(59)15-25-11-7-9-13-27(25)51-39)56(2)38(62)18-50-42(64)30(20-73-47(69)33(21-71-5)57(3)45(31)67)54-44(66)40-36(60)16-26-12-8-10-14-28(26)52-40/h7-16,29-34,59-60H,17-24H2,1-6H3,(H,49,63)(H,50,64)(H,53,65)(H,54,66)/t29-,30-,31+,32+,33+,34+/m0/s1

InChIKey

UPGGKUQISSWRJJ-XLTUSUNSSA-N

Smiles

CSC[C@H]1N(C)C(=O)[C@H]2CSSC[C@@H](N(C)C(=O)CNC(=O)[C@H](CSC1=O)NC(=O)c3nc4ccccc4cc3O)C(=O)N(C)[C@H](CSC)C(=O)SC[C@H](NC(=O)c5nc6ccccc6cc5O)C(=O)NCC(=O)N2C