(Q104922736)

English

methyl (2S)-2-[[(3R)-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

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subclass of

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

1 reference

1 reference

545.24856308 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₅N₅O₈

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canonical SMILES

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

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isomeric SMILES

CC[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(=O)OC

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found in taxon

Aster tataricus

1 reference

stated in

Oligopeptides from Aster tataricus

Identifiers

InChI

InChI=1S/C26H35N5O8/c1-4-17(26(38)39-3)28-21(34)13-19(16-9-6-5-7-10-16)29-24(36)20(14-32)30-25(37)22(15(2)33)31-23(35)18-11-8-12-27-18/h5-12,15,17,19-20,22,27,32-33H,4,13-14H2,1-3H3,(H,28,34)(H,29,36)(H,30,37)(H,31,35)/t15-,17-,19+,20-,22-/m0/s1

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InChIKey

BBGCHTRTEYZACR-YBMLVBOTSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BBGCHTRTEYZACR-YBMLVBOTSA-N

(Q104922736)

methyl (2S)-2-[[(3R)-3-[[(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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