(Q105147427)

English

2-[(E)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-1,11-dioxooctadec-3-en-2-yl]-2-hydroxybutanedioic acid

group of stereoisomers with the chemical formula C₃₃H₄₆N₂O₉

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

614.320331052 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₃H₄₆N₂O₉

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canonical SMILES

CCCCCCCC(=O)CCCCCCC=CC(C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O)C(O)(CC(=O)O)C(=O)O

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isomeric SMILES

CCCCCCCC(=O)CCCCCC/C=C/C(C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(O)(CC(=O)O)C(=O)O

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found in taxon

Trichoderma viride

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stated in

Isolation and structure elucidation of viridiofungins A, B and C

Identifiers

InChI

InChI=1S/C33H46N2O9/c1-2-3-4-7-10-15-24(36)16-11-8-5-6-9-12-18-26(33(44,32(42)43)21-29(37)38)30(39)35-28(31(40)41)20-23-22-34-27-19-14-13-17-25(23)27/h12-14,17-19,22,26,28,34,44H,2-11,15-16,20-21H2,1H3,(H,35,39)(H,37,38)(H,40,41)(H,42,43)/b18-12+/t26?,28-,33?/m0/s1

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InChIKey

KXOCQGQADUMFQO-PLSRANOKSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KXOCQGQADUMFQO-PLSRANOKSA-N

1 reference

(Q105147427)

2-[(E)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-1,11-dioxooctadec-3-en-2-yl]-2-hydroxybutanedioic acid

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