(Q104960883)

English

methyl (2S,3S)-3-hydroxy-2-[[(3S)-3-[[(2S)-3-hydroxy-2-[[(2S,3S)-3-hydroxy-2-(1H-pyrrole-2-carbonylamino)butanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]butanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

pyrrole alkaloid

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mass

561.2434777 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (2S,3S)-3-hydroxy-2-[[(3R)-3-[[(2S)-3-hydroxy-2-[[(2S,3S)-3-hydroxy-2-(1H-pyrrole-2-carbonylamino)butanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]butanoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₅N₅O₉

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canonical SMILES

COC(=O)C(NC(=O)CC(NC(=O)C(CO)NC(=O)C(NC(=O)c1ccc[nH]1)C(C)O)c1ccccc1)C(C)O

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isomeric SMILES

COC(=O)[C@@H](NC(=O)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)c1ccc[nH]1)[C@H](C)O)c1ccccc1)[C@H](C)O

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found in taxon

Aster tataricus

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stated in

New pentapeptides from Aster tataricus

stated in

Essential Oil from the Roots of Aster Tataricus L.

Identifiers

InChI

InChI=1S/C26H35N5O9/c1-14(33)21(31-23(36)17-10-7-11-27-17)25(38)29-19(13-32)24(37)28-18(16-8-5-4-6-9-16)12-20(35)30-22(15(2)34)26(39)40-3/h4-11,14-15,18-19,21-22,27,32-34H,12-13H2,1-3H3,(H,28,37)(H,29,38)(H,30,35)(H,31,36)/t14-,15-,18-,19-,21-,22-/m0/s1

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InChIKey

CJCYMDBASVMOKO-YEOMVXOESA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

CJCYMDBASVMOKO-YEOMVXOESA-N

1 reference

(Q104960883)

methyl (2S,3S)-3-hydroxy-2-[[(3S)-3-[[(2S)-3-hydroxy-2-[[(2S,3S)-3-hydroxy-2-(1H-pyrrole-2-carbonylamino)butanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]butanoate

Statements

Identifiers

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