33S

3-iodo-L-phenylalanine

Created:	2014-06-13
Last modified:	2024-09-27

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1 entries where 33S is found as a standalone ligand

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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 33S

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Chemical Component Summary
Name	3-iodo-L-phenylalanine
Systematic Name (OpenEye OEToolkits)	(2S)-2-azanyl-3-(3-iodanylphenyl)propanoic acid
Formula	C₉ H₁₀ I N O₂
Molecular Weight	291.086
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Ic1cc(ccc1)CC(C(=O)O)N
SMILES	CACTVS	3.385	N[CH](Cc1cccc(I)c1)C(O)=O
SMILES	OpenEye OEToolkits	1.9.2	c1cc(cc(c1)I)CC(C(=O)O)N
Canonical SMILES	CACTVS	3.385	N[C@@H](Cc1cccc(I)c1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc(cc(c1)I)C[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C9H10INO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
InChIKey	InChI	1.03	BABTYIKKTLTNRX-QMMMGPOBSA-N

Related Resource References

Resource Name	Reference
PubChem	86309354, 16747611
ChEMBL	CHEMBL3808935

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