(Q110159377)

English

(2R)-3-[[(2R)-3-(3-chloro-4-methoxyphenyl)-2-[[(E,5S,6S,7R,8S)-5,7-dihydroxy-8-methoxy-6-methyl-8-phenyloct-2-enoyl]amino]propanoyl]amino]-2-methylpropanoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

590.239493888 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₃₉ClN₂O₈

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canonical SMILES

O=C(O)C(C)CNC(=O)C(NC(=O)C=CCC(O)C(C)C(O)C(OC)C=1C=CC=CC1)CC2=CC=C(OC)C(Cl)=C2

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isomeric SMILES

COc1ccc(C[C@@H](NC(=O)/C=C/C[C@H](O)[C@H](C)[C@@H](O)[C@@H](OC)c2ccccc2)C(=O)NC[C@@H](C)C(=O)O)cc1Cl

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found in taxon

Nostoc

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stated in

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/C30H39ClN2O8/c1-18(30(38)39)17-32-29(37)23(16-20-13-14-25(40-3)22(31)15-20)33-26(35)12-8-11-24(34)19(2)27(36)28(41-4)21-9-6-5-7-10-21/h5-10,12-15,18-19,23-24,27-28,34,36H,11,16-17H2,1-4H3,(H,32,37)(H,33,35)(H,38,39)/b12-8+/t18-,19+,23-,24+,27-,28+/m1/s1

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InChIKey

FTJYIKGBCOJBMK-JIQHABPYSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q110159377)

(2R)-3-[[(2R)-3-(3-chloro-4-methoxyphenyl)-2-[[(E,5S,6S,7R,8S)-5,7-dihydroxy-8-methoxy-6-methyl-8-phenyloct-2-enoyl]amino]propanoyl]amino]-2-methylpropanoic acid

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