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Substance Name: Echinocandin B, 1-((4R,5R)-5-(3-aminopropoxy)-4-hydroxy-N2-(1-oxohexadecyl)-L-ornithine)-
RN: 143131-16-2
InChIKey: XSHXRYOJAITSJP-UHFFFAOYSA-N

Molecular Formula

  • C53-H88-N8-O16

Molecular Weight

  • 1093.3182
 
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Names and Synonyms

  • Echinocandin B, 1-((4R,5R)-5-(3-aminopropoxy)-4-hydroxy-N2-(1-oxohexadecyl)-L-ornithine)-

Registry Numbers

CAS Registry Number

  • 143131-16-2

System Generated Number

  • 0143131162

Structure Descriptors

InChI

1S/C53H88N8O16/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-39(67)55-36-27-38(66)51(77-25-18-24-54)59-50(74)43-44(68)30(2)28-61(43)53(76)41(32(4)63)57-49(73)42(46(70)45(69)33-20-22-34(64)23-21-33)58-48(72)37-26-35(65)29-60(37)52(75)40(31(3)62)56-47(36)71/h20-23,30-32,35-38,40-46,51,62-66,68-70H,5-19,24-29,54H2,1-4H3,(H,55,67)(H,56,71)(H,57,73)(H,58,72)(H,59,74)

InChIKey

XSHXRYOJAITSJP-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCC(=O)NC1CC(C(NC(=O)C2C(C(CN2C(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC1=O)C(C)O)O)C(C(c4ccc(cc4)O)O)O)C(C)O)C)O)OCCCN)O