YD5

N-(2-carboxyethyl)-L-alanine

Created:	2023-01-25
Last modified:	2024-10-16

Find Related PDB Entry
1 entries where YD5 is found in a polymer sequence

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	1
Bond Count	21
Aromatic Bond Count	0

2D diagram of YD5

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	N-(2-carboxyethyl)-L-alanine
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-(3-hydroxy-3-oxopropylamino)propanoic acid
Formula	C₆ H₁₁ N O₄
Molecular Weight	161.156
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OC(=O)CCNC(C)C(=O)O
SMILES	CACTVS	3.385	C[CH](NCCC(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	CC(C(=O)O)NCCC(=O)O
Canonical SMILES	CACTVS	3.385	C[C@H](NCCC(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@@H](C(=O)O)NCCC(=O)O
InChI	InChI	1.06	InChI=1S/C6H11NO4/c1-4(6(10)11)7-3-2-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1
InChIKey	InChI	1.06	OAWHMSFCLIYBHE-BYPYZUCNSA-N

Related Resource References

Resource Name	Reference
PubChem	24906319
ChEBI	CHEBI:50532

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.