9YT

(2~{S})-4-acetamido-2-azanyl-butanoic acid

Created:	2017-08-04
Last modified:	2018-08-22

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2 entries where 9YT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	1
Bond Count	22
Aromatic Bond Count	0

2D diagram of 9YT

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Chemical Component Summary
Name	(2~{S})-4-acetamido-2-azanyl-butanoic acid
Systematic Name (OpenEye OEToolkits)	(2~{S})-4-acetamido-2-azanyl-butanoic acid
Formula	C₆ H₁₂ N₂ O₃
Molecular Weight	160.171
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(=O)NCC[CH](N)C(O)=O
SMILES	OpenEye OEToolkits	2.0.6	CC(=O)NCCC(C(=O)O)N
Canonical SMILES	CACTVS	3.385	CC(=O)NCC[C@H](N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	CC(=O)NCC[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C6H12N2O3/c1-4(9)8-3-2-5(7)6(10)11/h5H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t5-/m0/s1
InChIKey	InChI	1.03	YLZRFVZUZIJABA-YFKPBYRVSA-N

Related Resource References

Resource Name	Reference
PubChem	46878484, 441021
ChEBI	CHEBI:7351, CHEBI:58929

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.