(Q105107372)

English

[(2R,3S,8R,13R,14S,19S)-8-butyl-13-carbamoyloxy-19-(4,4-dichlorobutyl)-10,21,24,26-tetrahydroxy-3,14-dimethyl-2-tricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaenyl] carbamate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

carbamidocyclophane C

1 reference

based on heuristic

inferred from SMILES

[8-Butyl-13-carbamoyloxy-19-(4,4-dichlorobutyl)-10,21,24,26-tetrahydroxy-3,14-dimethyl-2-tricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaenyl] carbamate

1 reference

based on heuristic

inferred from SMILES

mass

738.341372112 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2R,3S,8S,13R,14S,19S)-8-butyl-13-carbamoyloxy-19-(4,4-dichlorobutyl)-10,21,24,26-tetrahydroxy-3,14-dimethyl-2-tricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaenyl] carbamate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₈H₅₆Cl₂N₂O₈

0 references

canonical SMILES

CCCCC1CCCCC(C)C(OC(N)=O)c2cc(O)c(c(O)c2)C(CCCC(Cl)Cl)CCCCC(C)C(OC(N)=O)c2cc(O)c1c(O)c2

0 references

isomeric SMILES

CCCC[C@@H]1CCCC[C@H](C)[C@@H](OC(N)=O)c2cc(O)c(c(O)c2)[C@H](CCCC(Cl)Cl)CCCC[C@H](C)[C@@H](OC(N)=O)c2cc(O)c1c(O)c2

0 references

found in taxon

Nostoc

1 reference

stated in

Carbamidocyclophanes A-E, chlorinated paracyclophanes with cytotoxic and antibiotic activity from the Vietnamese cyanobacterium Nostoc sp.

Identifiers

InChI

InChI=1S/C38H56Cl2N2O8/c1-4-5-13-24-14-8-6-11-22(2)36(50-38(42)48)27-20-30(45)34(31(46)21-27)25(16-10-17-32(39)40)15-9-7-12-23(3)35(49-37(41)47)26-18-28(43)33(24)29(44)19-26/h18-25,32,35-36,43-46H,4-17H2,1-3H3,(H2,41,47)(H2,42,48)/t22-,23-,24+,25-,35+,36+/m0/s1

0 references

InChIKey

GTNWJJTZQLWLEN-RYGHWAIVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GTNWJJTZQLWLEN-RYGHWAIVSA-N

(Q105107372)

[(2R,3S,8R,13R,14S,19S)-8-butyl-13-carbamoyloxy-19-(4,4-dichlorobutyl)-10,21,24,26-tetrahydroxy-3,14-dimethyl-2-tricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaenyl] carbamate

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