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Substance Name: Esperamicin P
RN: 133978-90-2
InChIKey: DKKLHNXVRAMXCI-YYXSVKOOSA-N

Note

  • The tetrasulfide analog of esperamicin A1; isolated from Actinomadura verrucosospora.

Molecular Formula

  • C59-H80-N4-O22-S5

Molecular Weight

  • 1357.62
 
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Names and Synonyms

Name of Substance

  • Esperamicin P

Synonyms

  • BMY 41339
  • Esperamicin P

Systematic Names

  • Benzoic acid, 4,5-dimethoxy-2-((2-methoxy-1-oxo-2-propenyl)amino)-, 3'(12)-ester with methyl (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-hexapyranosyl)oxy)amino)-beta-D-glycopyranosyl)oxy)-12-((2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1-hydroxy-13-(2-(methyltetrathio)ethylidene)-11-oxobicyclo(7.3.1)trideca-4,9-diene-2,6-10-yl)carbamate, (1R-(1R*,4Z,8S*,12S*,13E))-
  • Benzoic acid, 4,5-dimethoxy-2-((2-methoxy-1-oxo-2-propenyl)amino)-, 3'(12)-ester with methyl (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)-12-((2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1-hydroxy-13-(2-(methyltetrathio)ethylidene)-11-oxobicyclo(7.3.1)trideca-4,9-diene-2,6-diyne-10-yl)carbamate, (1R-(1R*,4Z,8S*,12S*,13E))-

Registry Numbers

CAS Registry Number

  • 133978-90-2

System Generated Number

  • 0133978902

Structure Descriptors

InChI

1S/C59H80N4O22S5/c1-28(2)60-36-27-77-43(25-39(36)73-8)83-52-50(66)47(63-85-45-24-37(64)53(86-12)31(5)79-45)29(3)80-57(52)82-38-18-16-14-15-17-20-59(71)34(19-21-88-90-89-87-13)46(38)48(62-58(70)76-11)51(67)54(59)84-44-26-42(49(65)30(4)78-44)81-56(69)33-22-40(74-9)41(75-10)23-35(33)61-55(68)32(6)72-7/h14-15,19,22-23,28-31,36-39,42-45,47,49-50,52-54,57,60,63-66,71H,6,21,24-27H2,1-5,7-13H3,(H,61,68)(H,62,70)/b15-14-,34-19-

InChIKey

DKKLHNXVRAMXCI-YYXSVKOOSA-N

Smiles

c1(cc(c(cc1NC(C(OC)=C)=O)OC)OC)C(O[C@@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1C(C(NC(OC)=O)=C2\C([C@@]1(C#CC=CC#C[C@@H]2O[C@@H]1O[C@@H]([C@@H](NO[C@@H]2O[C@@H]([C@@H]([C@@H](C2)O)SC)C)[C@@H]([C@@H]1O[C@@H]1OC[C@@H](NC(C)C)[C@@H](OC)C1)O)C)O)=C\CSSSSC)=O)=O