200

4-CHLORO-L-PHENYLALANINE

Created:	2005-09-15
Last modified:	2024-09-27

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1 entries where 200 is found as a standalone ligand2 entries where 200 is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	1
Bond Count	23
Aromatic Bond Count	6

2D diagram of 200

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Chemical Component Summary
Name	4-CHLORO-L-PHENYLALANINE
Systematic Name (OpenEye OEToolkits)	(2S)-2-amino-3-(4-chlorophenyl)propanoic acid
Formula	C₉ H₁₀ Cl N O₂
Molecular Weight	199.634
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1ccc(cc1)CC(C(=O)O)N
SMILES	CACTVS	3.341	N[CH](Cc1ccc(Cl)cc1)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1CC(C(=O)O)N)Cl
Canonical SMILES	CACTVS	3.341	N[C@@H](Cc1ccc(Cl)cc1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1C[C@@H](C(=O)O)N)Cl
InChI	InChI	1.03	InChI=1S/C9H10ClNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
InChIKey	InChI	1.03	NIGWMJHCCYYCSF-QMMMGPOBSA-N

Related Resource References

Resource Name	Reference
PubChem	6931462, 736190
ChEMBL	CHEMBL412813
ChEBI	CHEBI:47069
CCDC/CSD	EWUZED, XEGQEI
COD	1554075, 1546049

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