OAN

O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE

Created:	2006-01-05
Last modified:	2021-03-01

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18 entries where OAN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	4
Bond Count	45
Aromatic Bond Count	6

2D diagram of OAN

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Chemical Component Summary
Name	O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE
Synonyms	PUGNAc
Systematic Name (OpenEye OEToolkits)	[(Z)-[(3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-ylidene]amino] N-phenylcarbamate
Formula	C₁₅ H₁₉ N₃ O₇
Molecular Weight	353.327
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O\N=C1/OC(CO)C(O)C(O)C1NC(=O)C)Nc2ccccc2
SMILES	CACTVS	3.370	CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)OC1=NOC(=O)Nc2ccccc2
SMILES	OpenEye OEToolkits	1.7.2	CC(=O)NC1C(C(C(OC1=NOC(=O)Nc2ccccc2)CO)O)O
Canonical SMILES	CACTVS	3.370	CC(=O)N[C@@H]\1[C@@H](O)[C@H](O)[C@@H](CO)OC\1=N\OC(=O)Nc2ccccc2
Canonical SMILES	OpenEye OEToolkits	1.7.2	CC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O
InChI	InChI	1.03	InChI=1S/C15H19N3O7/c1-8(20)16-11-13(22)12(21)10(7-19)24-14(11)18-25-15(23)17-9-5-3-2-4-6-9/h2-6,10-13,19,21-22H,7H2,1H3,(H,16,20)(H,17,23)/b18-14-/t10-,11-,12-,13-/m1/s1
InChIKey	InChI	1.03	PBLNJFVQMUMOJY-JXZOILRNSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL404482
PubChem	9576811
ChEMBL	CHEMBL404482
CCDC/CSD	DOXNOW

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