(Q105266881)

English

3-[(3S,21S,22S)-16-ethenyl-11-ethyl-3-hydroxy-3-(methoxycarbonyl)-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.1⁵,⁸.1¹⁰,¹³.1¹⁵,¹⁸.0²,⁶]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19-decaen-22-yl]propanoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

cyclic tetrapyrrole

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mass

608.263484872 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₅H₃₆N₄O₆

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canonical SMILES

O=C(O)CCC1C2=NC(=CC=3NC(C=C4N=C(C=C5NC=6C(C(=O)C(O)(C(=O)OC)C62)=C5C)C(=C4C)CC)=C(C=C)C3C)C1C

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isomeric SMILES

C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)[C@]4(O)C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C

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found in taxon

Clerodendrum calamitosum

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stated in

Cytotoxic pheophorbide-related compounds from Clerodendrum calamitosum and C. cyrtophyllum

Identifiers

InChI

InChI=1S/C35H36N4O6/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)31(38-24)30-32-29(33(42)35(30,44)34(43)45-7)18(6)25(39-32)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,36,39,44H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,35-/m0/s1

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InChIKey

TXOKSKCKTYISQV-FHCXDJKBSA-N

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(Q105266881)

3-[(3S,21S,22S)-16-ethenyl-11-ethyl-3-hydroxy-3-(methoxycarbonyl)-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.1⁵,⁸.1¹⁰,¹³.1¹⁵,¹⁸.0²,⁶]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19-decaen-22-yl]propanoic acid

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