(Q104171263)

English

12,18-Di(butan-2-yl)-24-hydroxy-3,4,10,13,21,25-hexamethyl-26-pent-2-en-2-yl-6,15-di(propan-2-yl)-1,19-dioxa-4,7,10,13,16-pentazacyclohexacos-21-ene-2,5,8,11,14,17,20-heptone

group of stereoisomers with the chemical formula C₄₄H₇₅N₅O₁₀

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Statements

instance of

group of stereoisomers

0 references

subclass of

biogenic cyclopeptide

1 reference

inferred from

biogenic cyclopeptide

mass

833.5513936 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₄H₇₅N₅O₁₀

0 references

canonical SMILES

CCC=C(C)C1OC(=O)C(C)N(C)C(=O)C(C(C)C)NC(=O)CN(C)C(=O)C(C(C)CC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)CC)OC(=O)C(C)=CCC(O)C1C

0 references

Identifiers

InChI

InChI=1S/C44H75N5O10/c1-17-20-28(10)37-30(12)32(50)22-21-29(11)43(56)59-38(27(9)19-3)39(52)46-35(25(6)7)41(54)49(16)36(26(8)18-2)42(55)47(14)23-33(51)45-34(24(4)5)40(53)48(15)31(13)44(57)58-37/h20-21,24-27,30-32,34-38,50H,17-19,22-23H2,1-16H3,(H,45,51)(H,46,52)

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InChIKey

LRWWIPZJXHBJSP-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LRWWIPZJXHBJSP-UHFFFAOYSA-N

(Q104171263)

12,18-Di(butan-2-yl)-24-hydroxy-3,4,10,13,21,25-hexamethyl-26-pent-2-en-2-yl-6,15-di(propan-2-yl)-1,19-dioxa-4,7,10,13,16-pentazacyclohexacos-21-ene-2,5,8,11,14,17,20-heptone

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