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Substance Name: Deoxymulundocandin
RN: 138626-63-8
UNII: 08CFZ3P61X
InChIKey: GWBOEEVOSDBARW-SPXLVGSKSA-N

Note

  • Isolated from Aspergillus sydowii.

Molecular Weight

  • 992.1703
 
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Names and Synonyms

Name of Substance

  • Deoxymulundocandin

Synonym

  • UNII-08CFZ3P61X

Systematic Name

  • L-Proline, (4R,5R)-4,5-dihydroxy-N2-(12-methyl-1-oxotetradecyl)-L-ornithyl-L-threonyl-trans-4-hydroxy-L-prolyl-4-(4-hydroxyphenyl)-L-threonyl-L-seryl-3-hydroxy-4-methyl-, cyclic (6-1)-peptide, (2alpha,3beta,4beta)-

Registry Numbers

CAS Registry Number

  • 138626-63-8

FDA UNII

  • 08CFZ3P61X

System Generated Number

  • 0138626638

Structure Descriptors

InChI

1S/C48H77N7O15/c1-5-26(2)14-12-10-8-6-7-9-11-13-15-37(62)49-32-22-36(61)44(66)53-46(68)40-41(63)27(3)23-55(40)47(69)33(25-56)50-45(67)39(35(60)20-29-16-18-30(58)19-17-29)52-43(65)34-21-31(59)24-54(34)48(70)38(28(4)57)51-42(32)64/h16-19,26-28,31-36,38-41,44,56-61,63,66H,5-15,20-25H2,1-4H3,(H,49,62)(H,50,67)(H,51,64)(H,52,65)(H,53,68)/t26?,27-,28+,31+,32-,33-,34-,35+,36+,38-,39-,40-,41-,44+/m0/s1

InChIKey

GWBOEEVOSDBARW-SPXLVGSKSA-N

Smiles

CCC(C)CCCCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)Cc4ccc(O)cc4