(Q105365699)

English

(2S)-N-[(2E,4E)-5-[(3S,4E,6E,8R,11E,13E,16S,17E,19E,21R,22E)-8,16-dimethoxy-3,12,18,21,23-pentamethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methylhexa-2,4-dienyl]-2-formamido-3-hydroxypropanamide

group of stereoisomers with the chemical formula C₄₁H₆₀N₂O₇

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Statements

instance of

group of stereoisomers

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1 reference

692.4400522599999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₄₁H₆₀N₂O₇

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canonical SMILES

COC1C=C(C)C=CC(C)C=C(C)C(=O)OC(C(C)=CC=C(C)CNC(=O)C(CO)NC=O)C(C)C=CC=CC(OC)CCC=C(C)C=CC1

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isomeric SMILES

CO[C@@H]1/C=C(C)/C=C/[C@@H](C)/C=C(\C)C(=O)OC(/C(C)=C/C=C(\C)CNC(=O)[C@H](CO)NC=O)[C@@H](C)/C=C/C=C/[C@H](OC)CC/C=C(C)/C=C/C1

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Identifiers

InChI

InChI=1S/C41H60N2O7/c1-29-14-12-18-36(48-8)17-11-10-16-33(5)39(34(6)23-22-32(4)26-42-40(46)38(27-44)43-28-45)50-41(47)35(7)24-30(2)20-21-31(3)25-37(49-9)19-13-15-29/h10-11,13-17,20-25,28,30,33,36-39,44H,12,18-19,26-27H2,1-9H3,(H,42,46)(H,43,45)/b15-13+,16-10+,17-11+,21-20+,29-14+,31-25+,32-22+,34-23+,35-24+/t30-,33+,36+,37+,38+,39?/m1/s1

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InChIKey

YVOFDUHVTLZRBY-BAGQDGEZSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

YVOFDUHVTLZRBY-BAGQDGEZSA-N

1 reference

(Q105365699)

(2S)-N-[(2E,4E)-5-[(3S,4E,6E,8R,11E,13E,16S,17E,19E,21R,22E)-8,16-dimethoxy-3,12,18,21,23-pentamethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methylhexa-2,4-dienyl]-2-formamido-3-hydroxypropanamide

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