DA3

(2S,5',S)-2-AMINO-3-(3-CARBOXY-2-ISOXAZOLIN-5-YL)PROPANOIC ACID

Created:	1999-07-08
Last modified:	2011-06-04

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1 entries where DA3 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	2
Bond Count	24
Aromatic Bond Count	0

2D diagram of DA3

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Chemical Component Summary
Name	(2S,5',S)-2-AMINO-3-(3-CARBOXY-2-ISOXAZOLIN-5-YL)PROPANOIC ACID
Systematic Name (OpenEye OEToolkits)	(5S)-5-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
Formula	C₇ H₁₀ N₂ O₅
Molecular Weight	202.165
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C1=NOC(CC(C(=O)O)N)C1
SMILES	CACTVS	3.341	N[CH](C[CH]1CC(=NO1)C(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C1C(ON=C1C(=O)O)CC(C(=O)O)N
Canonical SMILES	CACTVS	3.341	N[C@@H](C[C@H]1CC(=NO1)C(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1[C@@H](ON=C1C(=O)O)C[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C7H10N2O5/c8-4(6(10)11)1-3-2-5(7(12)13)9-14-3/h3-4H,1-2,8H2,(H,10,11)(H,12,13)/t3-,4-/m0/s1
InChIKey	InChI	1.03	AUXNPKGXCSBLJK-IMJSIDKUSA-N

Related Resource References

Resource Name	Reference
PubChem	5288021
ChEMBL	CHEMBL199181

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