(Q105349726)

English

(1R,9R,16R,18R,21S)-6-[(15R,17S,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-18-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

6-(15-Ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl)-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-18-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

602.362076712 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,9R,16S,18R,21S)-6-[(15S,17S,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-18-carboxylic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₉H₄₆N₄O₂

0 references

canonical SMILES

O=C(O)C1CC23CCCN4CCC5(C6=CC(=CC=C6NC15CC2)C7N8C=9C=CC=CC9C%10=C8C%11N(CC%10)CCCC%11(CC)C7)C43

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isomeric SMILES

CC[C@@]12CCCN3CCc4c(n(c5ccccc45)[C@H](c4ccc5c(c4)[C@@]46CCN7CCC[C@]8(CC[C@@]4(N5)[C@H](C(=O)O)C8)[C@H]76)C1)[C@H]32

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found in taxon

Kopsia dasyrachis

1 reference

stated in

Alkaloids from Kopsia dasyrachis

Identifiers

InChI

InChI=1S/C39H46N4O2/c1-2-36-12-5-17-41-19-11-26-25-7-3-4-8-30(25)43(32(26)33(36)41)31(23-36)24-9-10-29-27(21-24)38-16-20-42-18-6-13-37(35(38)42)14-15-39(38,40-29)28(22-37)34(44)45/h3-4,7-10,21,28,31,33,35,40H,2,5-6,11-20,22-23H2,1H3,(H,44,45)/t28-,31-,33-,35-,36+,37+,38+,39+/m0/s1

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InChIKey

YKJPOSKZESOFGR-IJOLKIGYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YKJPOSKZESOFGR-IJOLKIGYSA-N

(Q105349726)

(1R,9R,16R,18R,21S)-6-[(15R,17S,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-18-carboxylic acid

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