GC2

6-ACETAMIDO-6-DEOXY-CASTANOSPERMINE

Created:	2010-07-02
Last modified:	2020-06-05

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3 entries where GC2 is found as a standalone ligand1 entries where GC2 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	5
Bond Count	35
Aromatic Bond Count	0

2D diagram of GC2

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Chemical Component Summary
Name	6-ACETAMIDO-6-DEOXY-CASTANOSPERMINE
Synonyms	N-[(1S,6S,7R,8R,8AR)-1,7,8-TRIHYDROXYOCTAHYDROINDOLIZIN-6-YL]ACETAMIDE
Systematic Name (OpenEye OEToolkits)	N-[(1S,4S,6S,7R,8R,8aR)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]ethanamide
Formula	C₁₀ H₁₈ N₂ O₄
Molecular Weight	230.261
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(NC2C(O)C(O)C1N(CCC1O)C2)C
SMILES	CACTVS	3.352	CC(=O)N[CH]1CN2CC[CH](O)[CH]2[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.6.1	CC(=O)NC1CN2CCC(C2C(C1O)O)O
Canonical SMILES	CACTVS	3.352	CC(=O)N[C@H]1CN2CC[C@H](O)[C@@H]2[C@@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	1.6.1	CC(=O)N[C@H]1C[N@@]2CC[C@@H]([C@@H]2[C@H]([C@@H]1O)O)O
InChI	InChI	1.03	InChI=1S/C10H18N2O4/c1-5(13)11-6-4-12-3-2-7(14)8(12)10(16)9(6)15/h6-10,14-16H,2-4H2,1H3,(H,11,13)/t6-,7-,8+,9+,10+/m0/s1
InChIKey	InChI	1.03	IHKWXDCSAKJQKM-SRQGCSHVSA-N

Related Resource References

Resource Name	Reference
PubChem	9837515
ChEMBL	CHEMBL1232979

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