Nagstatin

AlkaPlorer ID: AK307303

Synonym: 8-(Acetylamino)-5,6,7,8-tetrahydro-6,7-dihydroxy-5-(hydroxymethyl)imidazo[1,2-a]pyridine-2-acetic acid 

IUPAC Name: 2-[8-acetamido-6,7-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetic acid

Structure

SMILES: CC(=O)NC1C2=NC(CC(=O)O)=CN2C(CO)C(O)C1O

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InChI: InChI=1S/C12H17N3O6/c1-5(17)13-9-11(21)10(20)7(4-16)15-3-6(2-8(18)19)14-12(9)15/h3,7,9-11,16,20-21H,2,4H2,1H3,(H,13,17)(H,18,19)

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InChIKey: XPJWMTPRJTUTBX-UHFFFAOYSA-N

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Reference

PubChem CID: 10086093

CAS: 126844-81-3

COCONUT: CNP0191930.2

Properties Information

Molecule Weight: 299.283

TPSA: 144.91

MolLogP: -2.043799999999999

Number of H-Donors: 5

Number of H-Acceptors: 7

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information