(Q104976702)

English

[(1R,2S,4S,9S,10R)-16-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] 1H-pyrrole-2-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(16-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl) 1H-pyrrole-2-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

357.205241724 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2S,4S,9R,10S)-16-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] 1H-pyrrole-2-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,2S,4S,9R,10R)-16-oxo-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadecan-4-yl 1H-pyrrole-2-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₇N₃O₃

0 references

canonical SMILES

O=C(OC1CCN2CC3CC(C(=O)N4CCCCC43)C2C1)C5=CC=CN5

0 references

isomeric SMILES

O=C(O[C@H]1CCN2C[C@@H]3C[C@@H](C(=O)N4CCCC[C@H]34)[C@@H]2C1)c1ccc[nH]1

0 references

found in taxon

Calpurnia aurea

1 reference

stated in

Alkaloids of ethiopian Calpurnia aurea subsp. aurea

Identifiers

InChI

InChI=1S/C20H27N3O3/c24-19-15-10-13(17-5-1-2-8-23(17)19)12-22-9-6-14(11-18(15)22)26-20(25)16-4-3-7-21-16/h3-4,7,13-15,17-18,21H,1-2,5-6,8-12H2/t13-,14-,15+,17+,18-/m0/s1

0 references

InChIKey

DDQYUQPEQYHDHG-DTJSUFBGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DDQYUQPEQYHDHG-DTJSUFBGSA-N

(Q104976702)

[(1R,2S,4S,9S,10R)-16-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] 1H-pyrrole-2-carboxylate

Statements

Identifiers

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