3K4

(2S,3S)-3-methylaziridine-2-carboxylic acid

Created:	2014-08-29
Last modified:	2014-10-15

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2 entries where 3K4 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	14
Chiral Atom Count	2
Bond Count	14
Aromatic Bond Count	0

2D diagram of 3K4

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Chemical Component Summary
Name	(2S,3S)-3-methylaziridine-2-carboxylic acid
Systematic Name (OpenEye OEToolkits)	(2S,3S)-3-methylaziridine-2-carboxylic acid
Formula	C₄ H₇ N O₂
Molecular Weight	101.104
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C1NC1C
SMILES	CACTVS	3.385	C[CH]1N[CH]1C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	CC1C(N1)C(=O)O
Canonical SMILES	CACTVS	3.385	C[C@@H]1N[C@@H]1C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C[C@H]1[C@H](N1)C(=O)O
InChI	InChI	1.03	InChI=1S/C4H7NO2/c1-2-3(5-2)4(6)7/h2-3,5H,1H3,(H,6,7)/t2-,3-/m0/s1
InChIKey	InChI	1.03	QOISFPILRGBKKL-HRFVKAFMSA-N

Related Resource References

Resource Name	Reference
PubChem	13894864

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