(Q105126811)

English

10-[(3-Chloro-4-methoxyphenyl)methyl]-14-hydroxy-6-methyl-3-(2-methylpropyl)-16-(4-phenylbut-3-en-2-yl)-1,4-dioxa-8,11-diazacyclohexadecane-2,5,9,12-tetrone

group of stereoisomers with the chemical formula C₃₅H₄₅ClN₂O₈

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Statements

instance of

group of stereoisomers

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subclass of

biogenic cyclopeptide

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inferred from

biogenic cyclopeptide

mass

656.2864440800003 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₅H₄₅ClN₂O₈

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canonical SMILES

COc1ccc(CC2NC(=O)CC(O)CC(C(C)C=Cc3ccccc3)OC(=O)C(CC(C)C)OC(=O)C(C)CNC2=O)cc1Cl

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Identifiers

InChI

InChI=1S/C35H45ClN2O8/c1-21(2)15-31-35(43)45-30(22(3)11-12-24-9-7-6-8-10-24)18-26(39)19-32(40)38-28(33(41)37-20-23(4)34(42)46-31)17-25-13-14-29(44-5)27(36)16-25/h6-14,16,21-23,26,28,30-31,39H,15,17-20H2,1-5H3,(H,37,41)(H,38,40)

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InChIKey

JFPRSGZLRPUHFQ-UHFFFAOYSA-N

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PubChem CID

73208645

1 reference

based on heuristic

inferred from InChIKey

(Q105126811)

10-[(3-Chloro-4-methoxyphenyl)methyl]-14-hydroxy-6-methyl-3-(2-methylpropyl)-16-(4-phenylbut-3-en-2-yl)-1,4-dioxa-8,11-diazacyclohexadecane-2,5,9,12-tetrone

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