Catalog No.:AA00AQIK

18791-21-4 | 3-Hydroxy-N-[(2Z,5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-2-(1-methylpropylidene)-3,7,12-trioxo-9-(3-pyridylmethyl)-1,4-dioxa-8-azacyclododeca-6-yl]-2-pyridinecarboxamide

Name: Name:3-Hydroxy-N-[(2Z,5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-2-(1-methylpropylidene)-3,7,12-trioxo-9-(3-pyridylmethyl)-1,4-dioxa-8-azacyclododeca-6-yl]-2-pyridinecarboxamide
Brand: AABLOCKS
SKU: AA00AQIK
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2.5mg

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Technical Information
Properties
Literature
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Technical Information
Properties
Literature

Technical Information

Catalog Number:

AA00AQIK

Chemical Name:

3-Hydroxy-N-[(2Z,5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-2-(1-methylpropylidene)-3,7,12-trioxo-9-(3-pyridylmethyl)-1,4-dioxa-8-azacyclododeca-6-yl]-2-pyridinecarboxamide

CAS Number:

18791-21-4

Molecular Formula:

C27H32N4O8

Molecular Weight:

540.5650

MDL Number:

MFCD01690307

SMILES:

CC/C(=C/1\OC(=O)[C@H](C)[C@H](O)[C@@H](NC(=O)[C@H]([C@H](OC1=O)C)NC(=O)c1ncccc1O)Cc1cccnc1)/C

Properties

Computed Properties

Complexity:

941

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Rotatable Bond Count:

XLogP3:

2.8

Literature

Title: Methyl-thiazoles: a novel mode of inhibition with the potential to develop novel inhibitors targeting InhA in Mycobacterium tuberculosis.

Journal: Journal of medicinal chemistry 20131114

Title: Towards a new tuberculosis drug: pyridomycin - nature's isoniazid.

Journal: EMBO molecular medicine 20121001

Title: Identification and characterization of the pyridomycin biosynthetic gene cluster of Streptomyces pyridomyceticus NRRL B-2517.

Journal: The Journal of biological chemistry 20110610

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