6CW

6-CHLORO-L-TRYPTOPHAN

Created:	2005-09-22
Last modified:	2024-09-27

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1 entries where 6CW is found as a standalone ligand1 entries where 6CW is covalently linked to polymer or other heterogen groups 6 entries where 6CW is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	1
Bond Count	28
Aromatic Bond Count	10

2D diagram of 6CW

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Chemical Component Summary
Name	6-CHLORO-L-TRYPTOPHAN
Systematic Name (OpenEye OEToolkits)	(2S)-2-amino-3-(6-chloro-1H-indol-3-yl)propanoic acid
Formula	C₁₁ H₁₁ Cl N₂ O₂
Molecular Weight	238.67
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)Cc2c1ccc(Cl)cc1nc2
SMILES	CACTVS	3.341	N[CH](Cc1c[nH]c2cc(Cl)ccc12)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	c1cc2c(cc1Cl)[nH]cc2CC(C(=O)O)N
Canonical SMILES	CACTVS	3.341	N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc2c(cc1Cl)[nH]cc2C[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C11H11ClN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1
InChIKey	InChI	1.03	FICLVQOYKYBXFN-VIFPVBQESA-N

Related Resource References

Resource Name	Reference
PubChem	10062693, 38988595
ChEBI	CHEBI:140077, CHEBI:139335

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