(Q105208734)

English

(2E)-N-[2-(3-chloro-4-methoxyphenyl)-1-{[2-methyl-2-(methyl-C-hydroxycarbonimidoyl)ethyl]-C-hydroxycarbonimidoyl}ethyl]-5-[(2-hydroxy-4-methylpentanoyl)oxy]-6-(3-phenyloxiran-2-yl)hept-2-enimidic acid

group of stereoisomers with the chemical formula C₃₆H₄₈ClN₃O₈

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instance of

group of stereoisomers

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chemical compound

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mass

685.312993176 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₆H₄₈ClN₃O₈

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canonical SMILES

CNC(=O)C(C)CNC(=O)C(Cc1ccc(OC)c(Cl)c1)NC(=O)C=CCC(OC(=O)C(O)CC(C)C)C(C)C1OC1c1ccccc1

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isomeric SMILES

CNC(=O)C(C)CNC(=O)C(Cc1ccc(OC)c(Cl)c1)NC(=O)/C=C/CC(OC(=O)C(O)CC(C)C)C(C)C1OC1c1ccccc1

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/C36H48ClN3O8/c1-21(2)17-28(41)36(45)47-29(23(4)32-33(48-32)25-11-8-7-9-12-25)13-10-14-31(42)40-27(35(44)39-20-22(3)34(43)38-5)19-24-15-16-30(46-6)26(37)18-24/h7-12,14-16,18,21-23,27-29,32-33,41H,13,17,19-20H2,1-6H3,(H,38,43)(H,39,44)(H,40,42)/b14-10+

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InChIKey

PGVXSTILHTXSDU-GXDHUFHOSA-N

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(Q105208734)

(2E)-N-[2-(3-chloro-4-methoxyphenyl)-1-{[2-methyl-2-(methyl-C-hydroxycarbonimidoyl)ethyl]-C-hydroxycarbonimidoyl}ethyl]-5-[(2-hydroxy-4-methylpentanoyl)oxy]-6-(3-phenyloxiran-2-yl)hept-2-enimidic acid

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