A1L7G

(2~{S})-4-(naphthalen-2-ylamino)-4-oxidanylidene-2-(3-oxidanylpropylamino)butanoic acid

Created:	2025-02-04
Last modified:	2025-10-22

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1 entries where A1L7G is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	1
Bond Count	44
Aromatic Bond Count	11

2D diagram of A1L7G

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Chemical Component Summary
Name	(2~{S})-4-(naphthalen-2-ylamino)-4-oxidanylidene-2-(3-oxidanylpropylamino)butanoic acid
Systematic Name (OpenEye OEToolkits)	(2~{S})-4-(naphthalen-2-ylamino)-4-oxidanylidene-2-(3-oxidanylpropylamino)butanoic acid
Formula	C₁₇ H₂₀ N₂ O₄
Molecular Weight	316.352
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OCCCN[CH](CC(=O)Nc1ccc2ccccc2c1)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2cc(ccc2c1)NC(=O)CC(C(=O)O)NCCCO
Canonical SMILES	CACTVS	3.385	OCCCN[C@@H](CC(=O)Nc1ccc2ccccc2c1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc2cc(ccc2c1)NC(=O)C[C@@H](C(=O)O)NCCCO
InChI	InChI	1.06	InChI=1S/C17H20N2O4/c20-9-3-8-18-15(17(22)23)11-16(21)19-14-7-6-12-4-1-2-5-13(12)10-14/h1-2,4-7,10,15,18,20H,3,8-9,11H2,(H,19,21)(H,22,23)/t15-/m0/s1
InChIKey	InChI	1.06	XGSOJHFXQLOTSQ-HNNXBMFYSA-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.