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Substance Name: Di-beta-lysyl capreomycin iia
RN: 74240-43-0
InChIKey: NNHAOUAWUNAJJO-DEDYPNTBSA-N

Molecular Formula

  • C31-H56-N16-O9

Molecular Weight

  • 796.886
 
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Names and Synonyms

Name of Substance

  • Di-beta-lysyl capreomycin iia

Synonym

  • DBLCA

Systematic Name

  • Capreomycin IA, 5-(L-2-((3,6-diamino-1-oxohexyl)amino)-beta-alanine)-, (S)-

Registry Numbers

CAS Registry Number

  • 74240-43-0

System Generated Number

  • 0074240430

Structure Descriptors

InChI

1S/C31H56N16O9/c32-6-1-3-15(34)9-22(49)39-11-19-26(52)43-20(13-41-31(37)56)27(53)47-24(17-5-8-38-30(36)46-17)29(55)40-12-18(25(51)45-21(14-48)28(54)44-19)42-23(50)10-16(35)4-2-7-33/h13,15-19,21,24,48H,1-12,14,32-35H2,(H,39,49)(H,40,55)(H,42,50)(H,43,52)(H,44,54)(H,45,51)(H,47,53)(H3,36,38,46)(H3,37,41,56)/b20-13+

InChIKey

NNHAOUAWUNAJJO-DEDYPNTBSA-N

Smiles

C1[C@@H](NC(=NC1)N)[C@@H]1C(NC[C@@H](NC(=O)C[C@@H](CCCN)N)C(=O)N[C@@H](CO)C(N[C@@H](CNC(C[C@@H](CCCN)N)=O)C(=O)N\C(=C\NC(N)=O)C(=O)N1)=O)=O