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DAA

Summary
Name:8-AMINO-7-CARBOXYAMINO-NONANOIC ACID WITH ALUMINUM FLUORIDE
Formula:C10 H19 Al F3 N2 O4
Formal charge:-1
Formula weight:315.246 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04{(7R,8S)-8-amino-7-[(carboxy-kappaO)amino]nonanoato}(trifluoro)aluminate(1-)
OpenEye OEToolkits1.5.0[(2S,3R)-2-amino-9-hydroxy-9-oxo-nonan-3-yl]carbamoyloxy-trifluoro-aluminum

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04F[Al-](F)(F)OC(=O)NC(C(N)C)CCCCCC(=O)O
SMILES_CANONICALCACTVS3.341C[C@H](N)[C@@H](CCCCCC(O)=O)NC(=O)O[Al-](F)(F)F
SMILESCACTVS3.341C[CH](N)[CH](CCCCCC(O)=O)NC(=O)O[Al-](F)(F)F
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@@H]([C@@H](CCCCCC(=O)O)NC(=O)O[Al-](F)(F)F)N
SMILESOpenEye OEToolkits1.5.0CC(C(CCCCCC(=O)O)NC(=O)O[Al-](F)(F)F)N
InChIInChI1.03InChI=1S/C10H20N2O4.Al.3FH/c1-7(11)8(12-10(15)16)5-3-2-4-6-9(13)14;;;;/h7-8,12H,2-6,11H2,1H3,(H,13,14)(H,15,16);;3*1H/q;+3;;;/p-4/t7-,8+;;;;/m0..../s1
InChIKeyInChI1.03YXYIADHJEQLYPU-JWQBCWJNSA-J

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PDB entries from 2024-10-09

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