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Substance Name: Esperamicin C
RN: 107453-55-4
InChIKey: JRSLIWPVTGZREY-CMIFKYRDSA-N

Note

  • Isolated from Actinomadura verrucosospora.

Molecular Formula

  • C40-H57-N3-O14-S4

Molecular Weight

  • 932.161
 
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Names and Synonyms

Name of Substance

  • Esperamicin C

Synonym

  • Esperamicin C

Systematic Name

  • Carbamic acid, (8-((4,6-dideoxy-2-O-(2,4-dideoxy-3-O-methyl-4-((1-methylethyl)amino)-alpha-L-threo-pentopyranosyl)-4-(((2,6-dideoxy-4-S-methyl-4-thio-beta-D-ribo-hexopyranosyl)oxy)amino)-beta-D-glucopyranosyl)oxy)-1,12-dihydroxy-13-(2-(methyltrithio)ethylidene)-11-oxobicyclo(7.3.1)trideca-4,9-diene-2,6-diyn-10-yl)-, methyl ester, (1S-(1R*,4Z,8S*,12S*,13E))-

Registry Numbers

CAS Registry Number

  • 107453-55-4

System Generated Number

  • 0107453554

Structure Descriptors

InChI

1S/C40H57N3O14S4/c1-20(2)41-24-19-52-28(18-27(24)50-5)56-35-33(45)31(43-57-29-17-25(44)36(58-7)22(4)53-29)21(3)54-38(35)55-26-13-11-9-10-12-15-40(49)23(14-16-60-61-59-8)30(26)32(34(46)37(40)47)42-39(48)51-6/h9-10,14,20-22,24-29,31,33,35-38,41,43-45,47,49H,16-19H2,1-8H3,(H,42,48)/b10-9-,23-14+/t21-,22-,24+,25+,26+,27+,28+,29+,31?,33+,35-,36-,37-,38+,40+/m1/s1

InChIKey

JRSLIWPVTGZREY-CMIFKYRDSA-N

Smiles

O1C[C@H](NC(C)C)[C@H](C[C@@H]1O[C@H]1[C@H](O[C@@H]2C\3=C(C([C@H]([C@@](C#CC=CC#C2)(O)C3=C/CSSSC)O)=O)NC(=O)OC)O[C@@H]([C@@H]([C@@H]1O)NO[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)SC)C)OC