(Q76855629)

English

3-[(2Z)-2-[[3-(2-carboxyethyl)-5-[(Z)-[(5Z)-4-ethenyl-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-3-methylpyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methyl-5-oxopyrrol-3-yl]propanoic acid

chemical compound

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chemical compound

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mass

582.2478348080001 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₃H₃₄N₄O₆

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canonical SMILES

C=CC1=C(C)C(/C=c2\[nH]/c(=C\c3[nH]c(/C=C4\NC(=O)C(C)=C4CCC(=O)O)c(CCC(=O)O)c3C)c(C)c2C=C)=NC1=O

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based on heuristic

inferred from InChI

isomeric SMILES

CC1=C(/C(=C/C2=C(C(=C(N2)/C=C\3/C(=C(/C(=C/C4=NC(=O)C(=C4C)C=C)/N3)C=C)C)C)CCC(=O)O)/NC1=O)CCC(=O)O

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Identifiers

InChI

InChI=1S/C33H34N4O6/c1-7-20-16(3)24(34-27(20)14-26-17(4)21(8-2)33(43)36-26)13-25-18(5)22(9-11-30(38)39)28(35-25)15-29-23(10-12-31(40)41)19(6)32(42)37-29/h7-8,13-15,34-35H,1-2,9-12H2,3-6H3,(H,37,42)(H,38,39)(H,40,41)/b24-13-,27-14-,29-15-

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InChIKey

AMRDBDFMTUKUFG-ZELODDTJSA-N

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(Q76855629)

3-[(2Z)-2-[[3-(2-carboxyethyl)-5-[(Z)-[(5Z)-4-ethenyl-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-3-methylpyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methyl-5-oxopyrrol-3-yl]propanoic acid

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