CTE

7-CHLOROTRYPTOPHAN

Created:	2005-08-31
Last modified:	2024-09-27

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3 entries where CTE is found as a standalone ligand

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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 CTE

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Chemical Component Summary
Name	7-CHLOROTRYPTOPHAN
Systematic Name (OpenEye OEToolkits)	(2S)-2-azanyl-3-(7-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)Cc2c1cccc(Cl)c1nc2
SMILES	CACTVS	3.352	N[CH](Cc1c[nH]c2c(Cl)cccc12)C(O)=O
SMILES	OpenEye OEToolkits	1.7.0	c1cc2c(c[nH]c2c(c1)Cl)CC(C(=O)O)N
Canonical SMILES	CACTVS	3.352	N[C@@H](Cc1c[nH]c2c(Cl)cccc12)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1cc2c(c[nH]c2c(c1)Cl)C[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C11H11ClN2O2/c12-8-3-1-2-7-6(5-14-10(7)8)4-9(13)11(15)16/h1-3,5,9,14H,4,13H2,(H,15,16)/t9-/m0/s1
InChIKey	InChI	1.03	DMQFGLHRDFQKNR-VIFPVBQESA-N

Related Resource References

Resource Name	Reference
PubChem	3081936, 45266734
ChEBI	CHEBI:47356, CHEBI:58713

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