A1CDU

(2S)-2-hydroxy-3-phenylpropanamide

Created:	2025-05-21
Last modified:	2025-11-12

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1 entries where A1CDU is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	1
Bond Count	23
Aromatic Bond Count	6

2D diagram of A1CDU

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Chemical Component Summary
Name	(2S)-2-hydroxy-3-phenylpropanamide
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-oxidanyl-3-phenyl-propanamide
Formula	C₉ H₁₁ N O₂
Molecular Weight	165.189
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	OC(Cc1ccccc1)C(N)=O
SMILES	CACTVS	3.385	NC(=O)[CH](O)Cc1ccccc1
SMILES	OpenEye OEToolkits	3.1.0.0	c1ccc(cc1)CC(C(=O)N)O
Canonical SMILES	CACTVS	3.385	NC(=O)[C@@H](O)Cc1ccccc1
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	c1ccc(cc1)C[C@@H](C(=O)N)O
InChI	InChI	1.06	InChI=1S/C9H11NO2/c10-9(12)8(11)6-7-4-2-1-3-5-7/h1-5,8,11H,6H2,(H2,10,12)/t8-/m0/s1
InChIKey	InChI	1.06	MGFFSFXUXCGTSF-QMMMGPOBSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.