KNC

KANAMYCIN C

Created:	2008-03-20
Last modified:	2011-06-04

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1 entries where KNC is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	69
Chiral Atom Count	15
Bond Count	71
Aromatic Bond Count	0

2D diagram of KNC

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Chemical Component Summary
Name	KANAMYCIN C
Systematic Name (OpenEye OEToolkits)	(2R,3S,4R,5R,6S)-5-amino-6-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-cyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol
Formula	C₁₈ H₃₆ N₄ O₁₁
Molecular Weight	484.499
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O(C2C(O)C(OC1OC(CO)C(O)C(O)C1N)C(N)CC2N)C3OC(C(O)C(N)C3O)CO
SMILES	CACTVS	3.341	N[CH]1C[CH](N)[CH](O[CH]2O[CH](CO)[CH](O)[CH](N)[CH]2O)[CH](O)[CH]1O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3N
SMILES	OpenEye OEToolkits	1.5.0	C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(C(C(C(O3)CO)O)O)N)N
Canonical SMILES	CACTVS	3.341	N[C@H]1C[C@@H](N)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](N)[C@H]2O)[C@@H](O)[C@@H]1O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N)N
InChI	InChI	1.03	InChI=1S/C18H36N4O11/c19-4-1-5(20)16(33-18-13(28)8(21)10(25)6(2-23)31-18)14(29)15(4)32-17-9(22)12(27)11(26)7(3-24)30-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+,14-,15+,16-,17+,18+/m0/s1
InChIKey	InChI	1.03	WZDRWYJKESFZMB-FQSMHNGLSA-N

Related Resource References

Resource Name	Reference
PubChem	439582
ChEBI	CHEBI:28185

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