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Substance Name: Rotihibin A
RN: 142689-34-7
InChIKey: BWAAITPBWDKLCD-IGQYSGFQSA-N

Note

  • Isolated from Streptomyces.

Molecular Weight

  • 845.947
 
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Names and Synonyms

Name of Substance

  • Rotihibin A

Systematic Name

  • L-Aspartamide, N5-(aminocarbonyl)-N2-(1-oxo-2-decenyl)-D-ornithyl-L-seryl-N4-L-allothreonyl-L-2,4-diaminobutanoyl-N1-(3-amino-1-(hydroxymethyl)-3-oxopropyl)-3-hydroxy-, (1(Z),4(threo-(S)))-

Registry Numbers

CAS Registry Number

  • 142689-34-7

System Generated Number

  • 0142689347

Structure Descriptors

InChI

1S/C35H63N11O13/c1-3-4-5-6-7-8-9-12-25(51)43-22(11-10-14-42-35(40)59)30(54)44-23(18-48)31(55)45-27(28(52)29(39)53)34(58)46(20(17-47)16-24(37)50)33(57)21(36)13-15-41-32(56)26(38)19(2)49/h9,12,19-23,26-28,47-49,52H,3-8,10-11,13-18,36,38H2,1-2H3,(H2,37,50)(H2,39,53)(H,41,56)(H,43,51)(H,44,54)(H,45,55)(H3,40,42,59)/b12-9-/t19-,20-,21?,22+,23-,26-,27-,28-/m0/s1

InChIKey

BWAAITPBWDKLCD-IGQYSGFQSA-N

Smiles

NC([C@H]([C@H](NC([C@@H](NC([C@H](NC(\C=C/CCCCCCC)=O)CCCNC(=O)N)=O)CO)=O)C(=O)N([C@@H](CC(=O)N)CO)C([C@@H](CCNC([C@@H](N)[C@H](C)O)=O)N)=O)O)=O