(Q105127520)

English

(13E)-10-[(3-chloro-4-methoxyphenyl)methyl]-16-(3,4-dihydroxy-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 C₃₅H₄₅ClN₂O₉

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instance of

group of stereoisomers

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subclass of

biogenic cyclopeptide

1 reference

inferred from

biogenic cyclopeptide

mass

672.2813587 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₄₅ClN₂O₉

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canonical SMILES

COc1ccc(CC2NC(=O)C=CCC(C(C)C(O)C(O)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(O)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/C35H45ClN2O9/c1-20(2)16-29-35(44)46-27(22(4)31(40)32(41)24-10-7-6-8-11-24)12-9-13-30(39)38-26(33(42)37-19-21(3)34(43)47-29)18-23-14-15-28(45-5)25(36)17-23/h6-11,13-15,17,20-22,26-27,29,31-32,40-41H,12,16,18-19H2,1-5H3,(H,37,42)(H,38,39)/b13-9+

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InChIKey

JGMGQTJWUKUQAC-UKTHLTGXSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

JGMGQTJWUKUQAC-UKTHLTGXSA-N

1 reference

(Q105127520)

(13E)-10-[(3-chloro-4-methoxyphenyl)methyl]-16-(3,4-dihydroxy-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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