(Q104194951)

English

1-Hydroxy-7-methoxy-10-(3-methylbut-2-enyl)-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-2,14,20-trione

group of stereoisomers with the chemical formula C₂₇H₃₁N₃O₅

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Statements

instance of

group of stereoisomers

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subclass of

biogenic 2,5-diketopiperazine

1 reference

inferred from

biogenic 2,5-diketopiperazine

mass

477.226371092 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₁N₃O₅

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canonical SMILES

O=C1C=2C=3C=CC(OC)=CC3N(C2C(C=C(C)C)N4C(=O)C5N(C(=O)C14O)CCC5)CC=C(C)C

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Identifiers

InChI

InChI=1S/C27H31N3O5/c1-15(2)10-12-28-20-14-17(35-5)8-9-18(20)22-23(28)21(13-16(3)4)30-25(32)19-7-6-11-29(19)26(33)27(30,34)24(22)31/h8-10,13-14,19,21,34H,6-7,11-12H2,1-5H3

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InChIKey

PKXCLEPXRNTYPU-UHFFFAOYSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104194951)

1-Hydroxy-7-methoxy-10-(3-methylbut-2-enyl)-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-2,14,20-trione

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