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Substance Name: Cepafungin I
RN: 130743-08-7
InChIKey: SVHNVAFCZJDSIW-VBFMYEFXSA-N

Note

  • From a Pseudomonas sp. strain.

Molecular Formula

  • C28-H46-N4-O6

Molecular Weight

  • 534.6934
 
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Names and Synonyms

Name of Substance

  • Cepafungin I

Systematic Name

  • 2,4-Dodecadienamide, N-(2-hydroxy-1-(((10-hydroxy-5-methyl-2,7-dioxo-1,6-diazabicyclododec-3-en-8-yl)amino)carbonyl)propyl)-11-methyl-, (5S-(3E,5R*,8R*(1R*(2E,4E),2S*),10R*))-

Registry Numbers

CAS Registry Number

  • 130743-08-7

System Generated Number

  • 0130743087

Structure Descriptors

InChI

1S/C28H46N4O6/c1-19(2)12-10-8-6-5-7-9-11-13-25(36)32-26(21(4)33)28(38)31-23-18-22(34)16-17-29-24(35)15-14-20(3)30-27(23)37/h7,9,11,13-15,19-23,26,33-34H,5-6,8,10,12,16-18H2,1-4H3,(H,29,35)(H,30,37)(H,31,38)(H,32,36)/b9-7+,13-11+,15-14-/t20-,21+,22-,23-,26-/m0/s1

InChIKey

SVHNVAFCZJDSIW-VBFMYEFXSA-N

Smiles

C[C@H]1/C=C\C(=O)NCC[C@@H](C[C@@H](C(=O)N1)NC(=O)[C@H]([C@@H](C)O)NC(=O)/C=C/C=C/CCCCCC(C)C)O