(Q105103501)

English

(13E)-10-[(3-chloro-4-methoxyphenyl)methyl]-16-(3-hydroxy-4-methoxy-4-phenylbutan-2-yl)-6-methyl-3-(2-methylpropyl)-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone

group of stereoisomers with the chemical formula C₃₆H₄₇ClN₂O₉

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instance of

group of stereoisomers

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subclass of

biogenic cyclopeptide

1 reference

inferred from

biogenic cyclopeptide

mass

686.297008764 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₄₇ClN₂O₉

0 references

canonical SMILES

COc1ccc(CC2NC(=O)C=CCC(C(C)C(O)C(OC)c3ccccc3)OC(=O)C(CC(C)C)OC(=O)C(C)CNC2=O)cc1Cl

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isomeric SMILES

COc1ccc(CC2NC(=O)/C=C/CC(C(C)C(O)C(OC)c3ccccc3)OC(=O)C(CC(C)C)OC(=O)C(C)CNC2=O)cc1Cl

1 reference

1 reference

Structure determination, conformational analysis, chemical stability studies, and antitumor evaluation of the cryptophycins. Isolation of 18 new analogs from Nostoc sp. strain GSV 224

Identifiers

InChI

InChI=1S/C36H47ClN2O9/c1-21(2)17-30-36(44)47-28(23(4)32(41)33(46-6)25-11-8-7-9-12-25)13-10-14-31(40)39-27(34(42)38-20-22(3)35(43)48-30)19-24-15-16-29(45-5)26(37)18-24/h7-12,14-16,18,21-23,27-28,30,32-33,41H,13,17,19-20H2,1-6H3,(H,38,42)(H,39,40)/b14-10+

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InChIKey

DALYSCNHWIQSMV-GXDHUFHOSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DALYSCNHWIQSMV-GXDHUFHOSA-N

1 reference

(Q105103501)

(13E)-10-[(3-chloro-4-methoxyphenyl)methyl]-16-(3-hydroxy-4-methoxy-4-phenylbutan-2-yl)-6-methyl-3-(2-methylpropyl)-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone

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Identifiers

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