(Q104169111)

English

9-[(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methyl]-5-methyl-3,6-dioxo-4-propan-2-yl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-16-carbaldehyde

group of stereoisomers with the chemical formula C₃₃H₄₅N₃O₃

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instance of

group of stereoisomers

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subclass of

biogenic 2,5-diketopiperazine

1 reference

inferred from

biogenic 2,5-diketopiperazine

mass

531.3460923 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₃H₄₅N₃O₃

0 references

canonical SMILES

O=CN1C=2C=CC=CC2C3(CC4C(=O)N(C)C(C(=O)N4C13)C(C)C)CC5C(=C)CCC6C(C)(C)CCCC56C

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Identifiers

InChI

InChI=1S/C33H45N3O3/c1-20(2)27-29(39)36-25(28(38)34(27)7)18-33(22-11-8-9-12-24(22)35(19-37)30(33)36)17-23-21(3)13-14-26-31(4,5)15-10-16-32(23,26)6/h8-9,11-12,19-20,23,25-27,30H,3,10,13-18H2,1-2,4-7H3

0 references

InChIKey

ITMWMZIGMMDMQK-UHFFFAOYSA-N

0 references

PubChem CID

78144573

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

ITMWMZIGMMDMQK-UHFFFAOYSA-N

(Q104169111)

9-[(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methyl]-5-methyl-3,6-dioxo-4-propan-2-yl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-16-carbaldehyde

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