Chemical Components in the PDB

pdbe.org/chem
spacer

HPH : Summary

Code

HPH

One-letter code

F

Molecule name

(2S)-2-amino-3-phenylpropane-1,1-diol

Synonyms

(2S)-2-amino-3-phenylpropane-1,1-diol

Systematic names

ProgramVersionName
ACDLabs 12.01 (2S)-2-amino-3-phenylpropane-1,1-diol
OpenEye OEToolkits 1.7.0 (2S)-2-azanyl-3-phenyl-propane-1,1-diol

Formula

C9 H13 N O2

Formal charge

0

Molecular weight

167.205 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 OC(O)C(N)Cc1ccccc1
SMILES CACTVS 3.370 N[CH](Cc1ccccc1)C(O)O
SMILES OpenEye OEToolkits 1.7.0 c1ccc(cc1)CC(C(O)O)N
Canonical SMILES CACTVS 3.370 N[C@@H](Cc1ccccc1)C(O)O
Canonical SMILES OpenEye OEToolkits 1.7.0 c1ccc(cc1)C[C@@H](C(O)O)N

IUPAC InChI

InChI=1S/C9H13NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8-9,11-12H,6,10H2/t8-/m0/s1

IUPAC InChI key

IFTWVTAUEXLCHB-QMMMGPOBSA-N

Is part of

K7J , Y3A
HPH

wwPDB Information

Atom count

25 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

peptide-like

Type code

HETAIN

Is modified

Yes

Standard parent

PHE

Defined at

1999-07-08

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned