A1IME

(2~{R})-2-azanyl-3-[(7-methylthieno[3,2-b]pyridin-2-yl)carbonylamino]propanoic acid

Created:	2024-08-21
Last modified:	2024-11-27

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1 entries where A1IME is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	1
Bond Count	33
Aromatic Bond Count	10

2D diagram of A1IME

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Chemical Component Summary
Name	(2~{R})-2-azanyl-3-[(7-methylthieno[3,2-b]pyridin-2-yl)carbonylamino]propanoic acid
Systematic Name (OpenEye OEToolkits)	(2~{R})-2-azanyl-3-[(7-methylthieno[3,2-b]pyridin-2-yl)carbonylamino]propanoic acid
Formula	C₁₂ H₁₃ N₃ O₃ S
Molecular Weight	279.315
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1ccnc2cc(sc12)C(=O)NC[CH](N)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccnc2c1sc(c2)C(=O)NCC(C(=O)O)N
Canonical SMILES	CACTVS	3.385	Cc1ccnc2cc(sc12)C(=O)NC[C@@H](N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccnc2c1sc(c2)C(=O)NC[C@H](C(=O)O)N
InChI	InChI	1.06	InChI=1S/C12H13N3O3S/c1-6-2-3-14-8-4-9(19-10(6)8)11(16)15-5-7(13)12(17)18/h2-4,7H,5,13H2,1H3,(H,15,16)(H,17,18)/t7-/m1/s1
InChIKey	InChI	1.06	QRAZNSMFVGTRFM-SSDOTTSWSA-N

Related Resource References

Resource Name	Reference
PubChem	155458066

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.