RDM

(2R)-2-(acetylamino)-4-phenylbutanoic acid

Created:	2020-02-10
Last modified:	2020-06-03

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2 entries where RDM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	1
Bond Count	31
Aromatic Bond Count	6

2D diagram of RDM

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Chemical Component Summary
Name	(2R)-2-(acetylamino)-4-phenylbutanoic acid
Systematic Name (OpenEye OEToolkits)	(2~{R})-2-acetamido-4-phenyl-butanoic acid
Formula	C₁₂ H₁₅ N O₃
Molecular Weight	221.252
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(c1ccccc1)CC(C(=O)O)NC(=O)C
SMILES	CACTVS	3.385	CC(=O)N[CH](CCc1ccccc1)C(O)=O
SMILES	OpenEye OEToolkits	2.0.6	CC(=O)NC(CCc1ccccc1)C(=O)O
Canonical SMILES	CACTVS	3.385	CC(=O)N[C@H](CCc1ccccc1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	CC(=O)N[C@H](CCc1ccccc1)C(=O)O
InChI	InChI	1.03	InChI=1S/C12H15NO3/c1-9(14)13-11(12(15)16)8-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16)/t11-/m1/s1
InChIKey	InChI	1.03	CNQZAOFOKXXEOB-LLVKDONJSA-N

Related Resource References

Resource Name	Reference
PubChem	2802420

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