NVZ

5-[(3aS,4S,6aR)-1-acetyl-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid

Created:	2011-08-31
Last modified:	2011-08-31

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1 entries where NVZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	3
Bond Count	38
Aromatic Bond Count	0

2D diagram of NVZ

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Chemical Component Summary
Name	5-[(3aS,4S,6aR)-1-acetyl-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
Systematic Name (OpenEye OEToolkits)	5-[(3aR,6S,6aS)-3-ethanoyl-2-oxidanylidene-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl]pentanoic acid
Formula	C₁₂ H₁₈ N₂ O₄ S
Molecular Weight	286.347
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)CCCCC1SCC2N(C(=O)C)C(=O)NC12
SMILES	CACTVS	3.370	CC(=O)N1[CH]2CS[CH](CCCCC(O)=O)[CH]2NC1=O
SMILES	OpenEye OEToolkits	1.7.2	CC(=O)N1C2CSC(C2NC1=O)CCCCC(=O)O
Canonical SMILES	CACTVS	3.370	CC(=O)N1[C@H]2CS[C@@H](CCCCC(O)=O)[C@H]2NC1=O
Canonical SMILES	OpenEye OEToolkits	1.7.2	CC(=O)N1[C@H]2CS[C@H]([C@H]2NC1=O)CCCCC(=O)O
InChI	InChI	1.03	InChI=1S/C12H18N2O4S/c1-7(15)14-8-6-19-9(11(8)13-12(14)18)4-2-3-5-10(16)17/h8-9,11H,2-6H2,1H3,(H,13,18)(H,16,17)/t8-,9-,11-/m0/s1
InChIKey	InChI	1.03	LXKFOEIWWHPOIN-QXEWZRGKSA-N

Related Resource References

Resource Name	Reference
PubChem	54751691

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