(Q104400973)

English

7-[(1S,4S,6R,10R)-9-hydroxy-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-en-6-yl]heptyl (1S)-10-heptyl-6-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodeca-4,6,8-triene-5-carboxylate

group of stereoisomers with the chemical formula C₃₅H₅₆N₆O₃

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Statements

instance of

group of stereoisomers

0 references

subclass of

triazaacenaphthylene alkaloid

1 reference

inferred from

triazaacenaphthylene alkaloid

mass

608.441389652 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₅₆N₆O₃

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canonical SMILES

O=C(OCCCCCCCC1N=C2N(O)C(C)CC3N2C(CC3)C1)C=4C(=NC5=NC(CCCCCCC)CC6N5C4CC6)C

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isomeric SMILES

CCCCCCCC1C[C@@H]2CCC3=C(C(=O)OCCCCCCC[C@@H]4C[C@@H]5CC[C@H]6C[C@@H](C)N(O)C(=N4)N56)C(C)=NC(=N1)N32

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found in taxon

Monanchora arbuscula

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stated in

Bioactive guanidine alkaloids from two Caribbean marine sponges.

Clathria calla

1 reference

stated in

Bioactive guanidine alkaloids from two Caribbean marine sponges.

Identifiers

InChI

InChI=1S/C35H56N6O3/c1-4-5-6-8-11-14-26-22-30-18-19-31-32(25(3)36-34(37-26)40(30)31)33(42)44-20-13-10-7-9-12-15-27-23-29-17-16-28-21-24(2)41(43)35(38-27)39(28)29/h24,26-30,43H,4-23H2,1-3H3/t24-,26?,27-,28+,29+,30+/m1/s1

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InChIKey

HKOJXFBELGWAOF-CCVDORCPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HKOJXFBELGWAOF-CCVDORCPSA-N

(Q104400973)

7-[(1S,4S,6R,10R)-9-hydroxy-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-en-6-yl]heptyl (1S)-10-heptyl-6-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodeca-4,6,8-triene-5-carboxylate

Statements

Identifiers

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