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Substance Name: Capreomycin ib sulfate
RN: 191719-41-2
UNII: 7LHE7403KL
InChIKey: IIYGPRWXYYFITR-STHSOBLYSA-N

Molecular Formula

  • C25-H44-N14-O7.2H2-O4-S

Molecular Weight

  • 848.8692
 
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Names and Synonyms

Name of Substance

  • Capreomycin ib sulfate

Synonyms

  • (3S)-3,6-Diamino-N-(((2S,5S,8Z,11S,15S)-15-amino-11-((4R)-2-amino-1,4,5,6-tetrahydropyrimidin-4-yl)-8-((carbamoylamino)methylene)-2-methyl-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-5-yl)methyl)hexanamide disulfate
  • Capreomycin ib sulfate
  • Cyclo((2S)-2-amino-beta-alanyl-L-alanyl-3-(((3S)-3,6-diamino-1-oxohexyl)amino)-L-alanyl-(2Z)-3-((aminocarbonyl)amino)-2,3-didehydroalanyl-(2S)-2-((4R)-2-amino-1,4,5,6-tetrahydro-4-pyrimidinyl)glycyl), sulfate
  • UNII-7LHE7403KL

Registry Numbers

CAS Registry Number

  • 191719-41-2

FDA UNII

  • 7LHE7403KL

System Generated Number

  • 0191719412

Structure Descriptors

InChI

1S/C25H44N14O7.2H2O4S/c1-11-19(41)36-15(9-32-17(40)7-12(27)3-2-5-26)21(43)37-16(10-34-25(30)46)22(44)39-18(14-4-6-31-24(29)38-14)23(45)33-8-13(28)20(42)35-11;2*1-5(2,3)4/h10-15,18H,2-9,26-28H2,1H3,(H,32,40)(H,33,45)(H,35,42)(H,36,41)(H,37,43)(H,39,44)(H3,29,31,38)(H3,30,34,46);2*(H2,1,2,3,4)/b16-10-;;/t11-,12-,13-,14+,15-,18-;;/m0../s1

InChIKey

IIYGPRWXYYFITR-STHSOBLYSA-N

Smiles

C[C@H]1C(=O)N[C@H](C(=O)N/C(=C\NC(=O)N)/C(=O)N[C@H](C(=O)NC[C@@H](C(=O)N1)N)[C@H]2CCN=C(N2)N)CNC(=O)C[C@H](CCCN)N.OS(=O)(=O)O.OS(=O)(=O)O