(Q105282410)

English

[(1R,2R,3S,4S,9R,10S)-3-hydroxy-14-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

(1S,2R,4S,9S,10R)-3-hydroxy-14-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

(3-hydroxy-14-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

373.200156344 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Calpurmeninepyrrolecarboxylic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₇N₃O₄

0 references

canonical SMILES

O=C(OC1CCN2CC3CC(CN4C(=O)CCCC43)C2C1O)C5=CC=CN5

0 references

isomeric SMILES

O=C(O[C@H]1CCN2C[C@H]3C[C@H](CN4C(=O)CCC[C@@H]34)[C@@H]2[C@@H]1O)c1ccc[nH]1

0 references

found in taxon

Calpurnia aurea

1 reference

stated in

Alkaloids of South African samples of Calpurnia aurea subsp. Sylvatica

Identifiers

InChI

InChI=1S/C20H27N3O4/c24-17-5-1-4-15-12-9-13(11-23(15)17)18-19(25)16(6-8-22(18)10-12)27-20(26)14-3-2-7-21-14/h2-3,7,12-13,15-16,18-19,21,25H,1,4-6,8-11H2/t12-,13-,15+,16+,18-,19-/m1/s1

0 references

InChIKey

UZQRTUHIAXQEDA-UEEHGTSNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UZQRTUHIAXQEDA-UEEHGTSNSA-N

(Q105282410)

[(1R,2R,3S,4S,9R,10S)-3-hydroxy-14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] 1H-pyrrole-2-carboxylate

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Identifiers

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