Chemical Components in the PDB

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1K7 : Summary

Code

1K7

One-letter code

X

Molecule name

(1S,2S)-2-[(2R)-2-azanyl-4-phenyl-butyl]cyclopropan-1-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.7.6 (1S,2S)-2-[(2R)-2-azanyl-4-phenyl-butyl]cyclopropan-1-amine

Formula

C13 H20 N2

Formal charge

0

Molecular weight

204.311 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.370 N[CH](CCc1ccccc1)C[CH]2C[CH]2N
SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)CCC(CC2CC2N)N
Canonical SMILES CACTVS 3.370 N[C@H](CCc1ccccc1)C[C@@H]2C[C@@H]2N
Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)CC[C@H](C[C@@H]2C[C@@H]2N)N

IUPAC InChI

InChI=1S/C13H20N2/c14-12(8-11-9-13(11)15)7-6-10-4-2-1-3-5-10/h1-5,11-13H,6-9,14-15H2/t11-,12-,13+/m1/s1

IUPAC InChI key

DRGBFDMHSWJTDJ-UPJWGTAASA-N

Is part of

1KR
1K7

wwPDB Information

Atom count

35 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-03-01

Last modified at

2013-04-12

Status

Released

Obsoleted

Not Assigned