(Q104939191)

English

(1R,2S,12S,15S)-1,2-dihydroxy-7-methoxy-10-(3-methylbut-2-en-2-yl)-12-(2-methylprop-1-enyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraene-14,20-dione

chemical compound

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type of chemical entity

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subclass of

1,2-Dihydroxy-7-methoxy-10-(3-methylbut-2-en-2-yl)-12-(2-methylprop-1-enyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraene-14,20-dione

1 reference

based on heuristic

inferred from SMILES

mass

479.242021156 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₃N₃O₅

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canonical SMILES

O=C1N2C(C=C(C)C)C3=C(C=4C=CC(OC)=CC4N3C(=C(C)C)C)C(O)C2(O)C(=O)N5CCCC15

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isomeric SMILES

COc1ccc2c3c(n(C(C)=C(C)C)c2c1)[C@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@H]3O

0 references

found in taxon

Aspergillus fumigatus

2 references

stated in

Novel mammalian cell cycle inhibitors, tryprostatins A, B and other diketopiperazines produced by Aspergillus fumigatus. I. Taxonomy, fermentation, isolation and biological properties.

stated in

Novel mammalian cell cycle inhibitors, tryprostatins A, B and other diketopiperazines produced by Aspergillus fumigatus. II. Physico-chemical properties and structures

Identifiers

InChI

InChI=1S/C27H33N3O5/c1-14(2)12-21-23-22(18-10-9-17(35-6)13-20(18)29(23)16(5)15(3)4)24(31)27(34)26(33)28-11-7-8-19(28)25(32)30(21)27/h9-10,12-13,19,21,24,31,34H,7-8,11H2,1-6H3/t19-,21-,24-,27+/m0/s1

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InChIKey

BOFFNKYESMKUPP-MWGWWEMPSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q104939191)

(1R,2S,12S,15S)-1,2-dihydroxy-7-methoxy-10-(3-methylbut-2-en-2-yl)-12-(2-methylprop-1-enyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraene-14,20-dione

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