MSN

(1R,2R,3R,4S,5R)-4-AMINO-5-(METHYLTHIO)CYCLOPENTANE-1,2,3-TRIOL

Created:	2005-12-28
Last modified:	2011-06-04

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2 entries where MSN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	5
Bond Count	24
Aromatic Bond Count	0

2D diagram of MSN

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Chemical Component Summary
Name	(1R,2R,3R,4S,5R)-4-AMINO-5-(METHYLTHIO)CYCLOPENTANE-1,2,3-TRIOL
Systematic Name (OpenEye OEToolkits)	(1R,2R,3R,4S,5R)-4-amino-5-methylsulfanyl-cyclopentane-1,2,3-triol
Formula	C₆ H₁₃ N O₃ S
Molecular Weight	179.237
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OC1C(O)C(N)C(SC)C1O
SMILES	CACTVS	3.341	CS[CH]1[CH](N)[CH](O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.5.0	CSC1C(C(C(C1O)O)O)N
Canonical SMILES	CACTVS	3.341	CS[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CS[C@@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O)N
InChI	InChI	1.03	InChI=1S/C6H13NO3S/c1-11-6-2(7)3(8)4(9)5(6)10/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5+,6+/m0/s1
InChIKey	InChI	1.03	BLOFGONIVNXZME-YDMGZANHSA-N

Related Resource References

Resource Name	Reference
PubChem	124189
ChEMBL	CHEMBL9623

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