4D4

(2S,3R)-2-azanyl-5-carbamimidamido-3-oxidanyl-pentanoic acid

Created:	2015-03-02
Last modified:	2024-09-27

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	2
Bond Count	26
Aromatic Bond Count	0

2D diagram of 4D4

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Chemical Component Summary
Name	(2S,3R)-2-azanyl-5-carbamimidamido-3-oxidanyl-pentanoic acid
Systematic Name (OpenEye OEToolkits)	(2S,3R)-2-azanyl-5-carbamimidamido-3-oxidanyl-pentanoic acid
Formula	C₆ H₁₄ N₄ O₃
Molecular Weight	190.2
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(O)(=O)C(C(CCN/C(N)=N)O)N
SMILES	CACTVS	3.385	N[CH]([CH](O)CCNC(N)=N)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	C(CNC(=N)N)C(C(C(=O)O)N)O
Canonical SMILES	CACTVS	3.385	N[C@@H]([C@H](O)CCNC(N)=N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	[H]/N=C(/N)\NCC[C@H]([C@@H](C(=O)O)N)O
InChI	InChI	1.03	InChI=1S/C6H14N4O3/c7-4(5(12)13)3(11)1-2-10-6(8)9/h3-4,11H,1-2,7H2,(H,12,13)(H4,8,9,10)/t3-,4+/m1/s1
InChIKey	InChI	1.03	VIDUVSPOWYVZIC-DMTCNVIQSA-N

Related Resource References

Resource Name	Reference
PubChem	44613050

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