2OR

amino{[(2R,3R,4S)-4-amino-2,3,5-trihydroxy-5-oxopentyl]amino}methaniminium

Created:	2013-08-28
Last modified:	2024-09-27

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1 entries where 2OR is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	29
Chiral Atom Count	3
Bond Count	28
Aromatic Bond Count	0

2D diagram of 2OR

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Chemical Component Summary
Name	amino{[(2R,3R,4S)-4-amino-2,3,5-trihydroxy-5-oxopentyl]amino}methaniminium
Systematic Name (OpenEye OEToolkits)	[azanyl-[[(2R,3R,4S)-4-azanyl-2,3,5-tris(oxidanyl)-5-oxidanylidene-pentyl]amino]methylidene]azanium
Formula	C₆ H₁₅ N₄ O₄
Molecular Weight	207.208
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(N)C(O)C(O)CNC(=[NH2+])\N
SMILES	CACTVS	3.385	N[CH]([CH](O)[CH](O)CNC(N)=[NH2+])C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	C(C(C(C(C(=O)O)N)O)O)NC(=[NH2+])N
Canonical SMILES	CACTVS	3.385	N[C@@H]([C@@H](O)[C@H](O)CNC(N)=[NH2+])C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C([C@H]([C@@H]([C@@H](C(=O)O)N)O)O)NC(=[NH2+])N
InChI	InChI	1.03	InChI=1S/C6H14N4O4/c7-3(5(13)14)4(12)2(11)1-10-6(8)9/h2-4,11-12H,1,7H2,(H,13,14)(H4,8,9,10)/p+1/t2-,3+,4+/m1/s1
InChIKey	InChI	1.03	LYAOXRAIEOXDDL-UZBSEBFBSA-O

Related Resource References

Resource Name	Reference
PubChem	137348072

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