Chemical Components in the PDB

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FV0 : Summary

Code

FV0

One-letter code

X

Molecule name

(2R,3S)-3-amino-1-[(2-methylpropyl)amino]-4-phenylbutan-2-ol

Systematic names

ProgramVersionName
ACDLabs 12.01 (2R,3S)-3-amino-1-[(2-methylpropyl)amino]-4-phenylbutan-2-ol
OpenEye OEToolkits 1.7.2 (2R,3S)-3-azanyl-1-(2-methylpropylamino)-4-phenyl-butan-2-ol

Formula

C14 H24 N2 O

Formal charge

0

Molecular weight

236.353 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 OC(C(N)Cc1ccccc1)CNCC(C)C
SMILES CACTVS 3.370 CC(C)CNC[CH](O)[CH](N)Cc1ccccc1
SMILES OpenEye OEToolkits 1.7.2 CC(C)CNCC(C(Cc1ccccc1)N)O
Canonical SMILES CACTVS 3.370 CC(C)CNC[C@@H](O)[C@@H](N)Cc1ccccc1
Canonical SMILES OpenEye OEToolkits 1.7.2 CC(C)CNC[C@H]([C@H](Cc1ccccc1)N)O

IUPAC InChI

InChI=1S/C14H24N2O/c1-11(2)9-16-10-14(17)13(15)8-12-6-4-3-5-7-12/h3-7,11,13-14,16-17H,8-10,15H2,1-2H3/t13-,14+/m0/s1

IUPAC InChI key

RHCZPSYTFNEZBK-UONOGXRCSA-N

Is part of

G89 , K83
FV0

wwPDB Information

Atom count

41 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-06-06

Last modified at

2012-01-13

Status

Released

Obsoleted

Not Assigned