(Q105015314)

English

methyl (2S,3S)-3-hydroxy-2-[[(2S)-2-[[(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

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

561.2434777 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₅N₅O₉

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canonical SMILES

COC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CO)NC(=O)C(NC(=O)c1ccc[nH]1)C(C)O)C(C)O

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isomeric SMILES

COC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)c1ccc[nH]1)[C@H](C)O)[C@H](C)O

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found in taxon

Aster tataricus

1 reference

stated in

New pentapeptides from Aster tataricus

Identifiers

InChI

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

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InChIKey

GQDCCFYSNGUVHO-XRYUJSLGSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GQDCCFYSNGUVHO-XRYUJSLGSA-N

(Q105015314)

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

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Identifiers

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