2CZ

N-[(3S,4R,5R,6S)-4,5,6-trihydroxyazepan-3-yl]acetamide

Created:	2013-09-20
Last modified:	2013-10-30

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1 entries where 2CZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	4
Bond Count	30
Aromatic Bond Count	0

2D diagram of 2CZ

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Chemical Component Summary
Name	N-[(3S,4R,5R,6S)-4,5,6-trihydroxyazepan-3-yl]acetamide
Systematic Name (OpenEye OEToolkits)	N-[(3S,4R,5R,6S)-4,5,6-tris(oxidanyl)azepan-3-yl]ethanamide
Formula	C₈ H₁₆ N₂ O₄
Molecular Weight	204.224
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NC1CNCC(O)C(O)C1O)C
SMILES	CACTVS	3.385	CC(=O)N[CH]1CNC[CH](O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.7.6	CC(=O)NC1CNCC(C(C1O)O)O
Canonical SMILES	CACTVS	3.385	CC(=O)N[C@H]1CNC[C@H](O)[C@@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CC(=O)N[C@H]1CNC[C@@H]([C@H]([C@@H]1O)O)O
InChI	InChI	1.03	InChI=1S/C8H16N2O4/c1-4(11)10-5-2-9-3-6(12)8(14)7(5)13/h5-9,12-14H,2-3H2,1H3,(H,10,11)/t5-,6-,7+,8+/m0/s1
InChIKey	InChI	1.03	RGHXJBVAPJFIEQ-RULNZFCNSA-N

Related Resource References

Resource Name	Reference
PubChem	42632559
ChEMBL	CHEMBL538458

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