CEM

N-(1-CARBOXY-2-HYDROXY-4-OXO-BUTYL)-N-(3-OXO-CISPROPENYL)AMINE

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

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1 entries where CEM is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	2
Bond Count	24
Aromatic Bond Count	0

2D diagram of CEM

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Chemical Component Summary
Name	N-(1-CARBOXY-2-HYDROXY-4-OXO-BUTYL)-N-(3-OXO-CISPROPENYL)AMINE
Systematic Name (OpenEye OEToolkits)	(2R)-3-hydroxy-5-oxo-2-[[(Z)-3-oxoprop-1-enyl]amino]pentanoic acid
Formula	C₈ H₁₁ N O₅
Molecular Weight	201.177
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=CCC(O)C(N\C=C/C=O)C(=O)O
SMILES	CACTVS	3.341	O[CH](CC=O)[CH](NC=CC=O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C(C=O)C(C(C(=O)O)NC=CC=O)O
Canonical SMILES	CACTVS	3.341	O[C@@H](CC=O)[C@@H](N\C=C/C=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C(C=O)C([C@H](C(=O)O)N\C=C/C=O)O
InChI	InChI	1.03	InChI=1S/C8H11NO5/c10-4-1-3-9-7(8(13)14)6(12)2-5-11/h1,3-7,9,12H,2H2,(H,13,14)/b3-1-/t6-,7+/m0/s1
InChIKey	InChI	1.03	DIQBZADGQQVQIO-WHFQOLMOSA-N

Related Resource References

Resource Name	Reference
PubChem	52941742

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