0TD

(3S)-3-(methylsulfanyl)-L-aspartic acid

Created:	2012-02-22
Last modified:	2024-09-27

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187 entries where 0TD is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	2
Bond Count	19
Aromatic Bond Count	0

2D diagram of 0TD

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Chemical Component Summary
Name	(3S)-3-(methylsulfanyl)-L-aspartic acid
Systematic Name (OpenEye OEToolkits)	(2R,3S)-2-azanyl-3-methylsulfanyl-butanedioic acid
Formula	C₅ H₉ N O₄ S
Molecular Weight	179.194
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(N)C(SC)C(=O)O
SMILES	CACTVS	3.370	CS[CH]([CH](N)C(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	CSC(C(C(=O)O)N)C(=O)O
Canonical SMILES	CACTVS	3.370	CS[C@@H]([C@H](N)C(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CS[C@@H]([C@@H](C(=O)O)N)C(=O)O
InChI	InChI	1.03	InChI=1S/C5H9NO4S/c1-11-3(5(9)10)2(6)4(7)8/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3-/m0/s1
InChIKey	InChI	1.03	AOSGDBLMPHPJQU-HRFVKAFMSA-N

Related Resource References

Resource Name	Reference
PubChem	137347888

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