DV6

[(2S)-3-[(2S)-2-(disulfanyl)-2,3-dihydro-1H-imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]-trimethyl-azanium

Created:	2019-09-03
Last modified:	2024-09-27

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1 entries where DV6 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	1
Atom Count	34
Chiral Atom Count	2
Bond Count	34
Aromatic Bond Count	0

2D diagram of DV6

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Chemical Component Summary
Name	[(2S)-3-[(2S)-2-(disulfanyl)-2,3-dihydro-1H-imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]-trimethyl-azanium
Systematic Name (OpenEye OEToolkits)	[(2~{S})-3-[(2~{S})-2-(disulfanyl)-2,3-dihydro-1~{H}-imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]-trimethyl-azanium
Formula	C₉ H₁₈ N₃ O₂ S₂
Molecular Weight	264.388
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C[N+](C)(C)[CH](CC1=CN[CH](N1)SS)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	C[N+](C)(C)C(CC1=CNC(N1)SS)C(=O)O
Canonical SMILES	CACTVS	3.385	C[N+](C)(C)[C@@H](CC1=CN[C@@H](N1)SS)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[N+](C)(C)[C@@H](CC1=CN[C@@H](N1)SS)C(=O)O
InChI	InChI	1.03	InChI=1S/C9H17N3O2S2/c1-12(2,3)7(8(13)14)4-6-5-10-9(11-6)16-15/h5,7,9-11H,4H2,1-3H3,(H-,13,14,15)/p+1/t7-,9-/m0/s1
InChIKey	InChI	1.03	XGMLHKDWXWTLLL-CBAPKCEASA-O

Related Resource References

Resource Name	Reference
PubChem	154573797

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