9DT

(2~{S})-2-azanyl-3-(2-fluorophenyl)-2-methyl-propanoic acid

Created:	2017-05-11
Last modified:	2025-11-27

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1 entries where 9DT is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	1
Bond Count	26
Aromatic Bond Count	6

2D diagram of 9DT

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Chemical Component Summary
Name	(2~{S})-2-azanyl-3-(2-fluorophenyl)-2-methyl-propanoic acid
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-azanyl-3-(2-fluorophenyl)-2-methyl-propanoic acid
Formula	C₁₀ H₁₂ F N O₂
Molecular Weight	197.206
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C[C](N)(Cc1ccccc1F)C(O)=O
SMILES	OpenEye OEToolkits	2.0.6	CC(Cc1ccccc1F)(C(=O)O)N
Canonical SMILES	CACTVS	3.385	C[C@](N)(Cc1ccccc1F)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	C[C@](Cc1ccccc1F)(C(=O)O)N
InChI	InChI	1.03	InChI=1S/C10H12FNO2/c1-10(12,9(13)14)6-7-4-2-3-5-8(7)11/h2-5H,6,12H2,1H3,(H,13,14)/t10-/m0/s1
InChIKey	InChI	1.03	MXECDVKIKUSSNC-JTQLQIEISA-N

Related Resource References

Resource Name	Reference
PubChem	14605998

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