PEC

S,S-PENTYLTHIOCYSTEINE

Created:	1999-07-08
Last modified:	2024-09-27

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1 entries where PEC is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	1
Bond Count	29
Aromatic Bond Count	0

2D diagram of PEC

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Chemical Component Summary
Name	S,S-PENTYLTHIOCYSTEINE
Systematic Name (OpenEye OEToolkits)	(2R)-2-amino-3-pentyldisulfanyl-propanoic acid
Formula	C₈ H₁₇ N O₂ S₂
Molecular Weight	223.356
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)CSSCCCCC
SMILES	CACTVS	3.341	CCCCCSSC[CH](N)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CCCCCSSCC(C(=O)O)N
Canonical SMILES	CACTVS	3.341	CCCCCSSC[C@H](N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCSSC[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C8H17NO2S2/c1-2-3-4-5-12-13-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)/t7-/m0/s1
InChIKey	InChI	1.03	QFYJSCJLKKAFDH-ZETCQYMHSA-N

Related Resource References

Resource Name	Reference
PubChem	49867483

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