(Q82990649)

English

5-Hydroxy-N-[1-{2-[hydroxy(imino)methyl]-3,3-dimethylpyrrolidin-1-yl}-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-3,4-dihydro-2H-pyrrole-2-carboximidic acid

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

390.201553312 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₈H₂₆N₆O₄

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canonical SMILES

CC1(C)CCN(C(=O)C(Cc2cnc[nH]2)NC(=O)C2CCC(=O)N2)C1C(N)=O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC1(CCN([C@@H]1C(=O)N)C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@@H]3CCC(=O)N3)C

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Identifiers

InChI

InChI=1S/C18H26N6O4/c1-18(2)5-6-24(14(18)15(19)26)17(28)12(7-10-8-20-9-21-10)23-16(27)11-3-4-13(25)22-11/h8-9,11-12,14H,3-7H2,1-2H3,(H2,19,26)(H,20,21)(H,22,25)(H,23,27)/t11-,12-,14+/m0/s1

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InChIKey

ZEQAPQNFHVYDEL-SGMGOOAPSA-N

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CAS Registry Number

76820-40-1

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InChIKey

ZEQAPQNFHVYDEL-SGMGOOAPSA-N

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=76820-40-1

PubChem CID

107823

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matched by identifier from

InChIKey

ZEQAPQNFHVYDEL-SGMGOOAPSA-N

1 reference

1 reference

matched by identifier from

InChIKey

ZEQAPQNFHVYDEL-SGMGOOAPSA-N

DSSTOX compound identifier

DTXCID001425136

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UNII

PYAIKU1M4K

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matched by identifier from

InChIKey

ZEQAPQNFHVYDEL-SGMGOOAPSA-N

(Q82990649)

5-Hydroxy-N-[1-{2-[hydroxy(imino)methyl]-3,3-dimethylpyrrolidin-1-yl}-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-3,4-dihydro-2H-pyrrole-2-carboximidic acid

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