SMF

4-SULFOMETHYL-L-PHENYLALANINE

Created:	2003-03-18
Last modified:	2024-09-27

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8 entries where SMF is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	1
Bond Count	30
Aromatic Bond Count	6

2D diagram of SMF

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Chemical Component Summary
Name	4-SULFOMETHYL-L-PHENYLALANINE
Systematic Name (OpenEye OEToolkits)	(2S)-2-amino-3-[4-(sulfomethyl)phenyl]propanoic acid
Formula	C₁₀ H₁₃ N O₅ S
Molecular Weight	259.279
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=S(=O)(O)Cc1ccc(cc1)CC(N)C(=O)O
SMILES	CACTVS	3.341	N[CH](Cc1ccc(C[S](O)(=O)=O)cc1)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1CC(C(=O)O)N)CS(=O)(=O)O
Canonical SMILES	CACTVS	3.341	N[C@@H](Cc1ccc(C[S](O)(=O)=O)cc1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1C[C@@H](C(=O)O)N)CS(=O)(=O)O
InChI	InChI	1.03	InChI=1S/C10H13NO5S/c11-9(10(12)13)5-7-1-3-8(4-2-7)6-17(14,15)16/h1-4,9H,5-6,11H2,(H,12,13)(H,14,15,16)/t9-/m0/s1
InChIKey	InChI	1.03	ICCZHONAEMZRSG-VIFPVBQESA-N

Related Resource References

Resource Name	Reference
PubChem	11010698

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