(Q105031849)

English

HPRFQGMNEDASPB-VPVVSHQUSA-N

group of stereoisomers with the chemical formula C₅₇H₇₆N₄O₂₂S₄

In more languages

Statements

group of stereoisomers

0 references

chemical compound

0 references

1,296.383404072 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₇H₇₆N₄O₂₂S₄

0 references

canonical SMILES

C=C(OC)C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC1C(O)CC(OC2C(=O)C(NC(=O)OC)=C3C(=CCSSSC)C2(O)C#CC=CC#CC3OC2OC(C)C(NOC3CC(O)C(SC)C(C)O3)C(O)C2OC2CC(OC)C(NC)CO2)OC1C

0 references

isomeric SMILES

C=C(OC)C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC1C(O)CC(OC2C(=O)C(NC(=O)OC)=C3/C(=C\CSSSC)[C@]2(O)C#C/C=C\C#C[C@@H]3OC2OC(C)C(NOC3CC(O)C(SC)C(C)O3)C(O)C2OC2CC(OC)C(NC)CO2)OC1C

0 references

Actinomadura verrucosospora

1 reference

Esperamicins, a novel class of potent antitumor antibiotics. I. Physico-chemical data and partial structure.

Identifiers

InChI=1S/C57H76N4O22S4/c1-27-45(61-83-43-24-36(63)51(84-11)29(3)77-43)47(64)50(80-41-25-38(71-7)34(58-5)26-75-41)55(78-27)79-37-17-15-13-14-16-19-57(69)32(18-20-86-87-85-12)44(37)46(60-56(68)74-10)48(65)52(57)81-42-23-35(62)49(28(2)76-42)82-54(67)31-21-39(72-8)40(73-9)22-33(31)59-53(66)30(4)70-6/h13-14,18,21-22,27-29,34-38,41-43,45,47,49-52,55,58,61-64,69H,4,20,23-26H2,1-3,5-12H3,(H,59,66)(H,60,68)/b14-13-,32-18+/t27?,28?,29?,34?,35?,36?,37-,38?,41?,42?,43?,45?,47?,49?,50?,51?,52?,55?,57+/m0/s1

0 references

HPRFQGMNEDASPB-VPVVSHQUSA-N

0 references

1 reference

15 September 2022

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C57H76N4O22S4/c1-27-45(61-83-43-24-36(63)51(84-11)29(3)77-43)47(64)50(80-41-25-38(71-7)34(58-5)26-75-41)55(78-27)79-37-17-15-13-14-16-19-57(69)32(18-20-86-87-85-12)44(37)46(60-56(68)74-10)48(65)52(57)81-42-23-35(62)49(28(2)76-42)82-54(67)31-21-39(72-8)40(73-9)22-33(31)59-53(66)30(4)70-6/h13-14,18,21-22,27-29,34-38,41-43,45,47,49-52,55,58,61-64,69H,4,20,23-26H2,1-3,5-12H3,(H,59,66)(H,60,68)/b14-13-,32-18+/t27?,28?,29?,34?,35?,36?,37-,38?,41?,42?,43?,45?,47?,49?,50?,51?,52?,55?,57+/m0/s1

UniChem compound ID

1 reference

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

HPRFQGMNEDASPB-VPVVSHQUSA-N

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

Retrieved from "https://www.wikidata.org/w/index.php?title=Q105031849&oldid=2158282393"