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2MJ : Summary

Code

2MJ

One-letter code

X

Molecule name

(2R,3S)-3-amino-5-methylhexane-1,2-diol

Systematic names

ProgramVersionName
ACDLabs 12.01 (2R,3S)-3-amino-5-methylhexane-1,2-diol
OpenEye OEToolkits 1.7.6 (2R,3S)-3-azanyl-5-methyl-hexane-1,2-diol

Formula

C7 H17 N O2

Formal charge

0

Molecular weight

147.215 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 OCC(O)C(N)CC(C)C
SMILES CACTVS 3.385 CC(C)C[CH](N)[CH](O)CO
SMILES OpenEye OEToolkits 1.7.6 CC(C)CC(C(CO)O)N
Canonical SMILES CACTVS 3.385 CC(C)C[C@H](N)[C@@H](O)CO
Canonical SMILES OpenEye OEToolkits 1.7.6 CC(C)C[C@@H]([C@H](CO)O)N

IUPAC InChI

InChI=1S/C7H17NO2/c1-5(2)3-6(8)7(10)4-9/h5-7,9-10H,3-4,8H2,1-2H3/t6-,7-/m0/s1

IUPAC InChI key

OMCIQBXZJIKYIY-BQBZGAKWSA-N
2MJ

wwPDB Information

Atom count

27 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-12-04

Last modified at

2014-02-07

Status

Released

Obsoleted

Not Assigned