|
HPE : Summary
Code
|
HPE
|
One-letter code
|
F
|
Molecule name
|
HOMOPHENYLALANINE
|
Systematic names
|
|
Formula
|
C10 H13 N O2
|
Formal charge
|
0
|
Molecular weight
|
179.216 Da
|
SMILES
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
O=C(O)C(N)CCc1ccccc1 |
SMILES
|
CACTVS |
3.341 |
N[CH](CCc1ccccc1)C(O)=O |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1ccc(cc1)CCC(C(=O)O)N |
Canonical SMILES
|
CACTVS |
3.341 |
N[C@@H](CCc1ccccc1)C(O)=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1ccc(cc1)CC[C@@H](C(=O)O)N |
|
IUPAC InChI | InChI=1S/C10H13NO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1 |
IUPAC InChI key | JTTHKOPSMAVJFE-VIFPVBQESA-N |
Is part of |
RL2
, P3N
, OEU
|
|
wwPDB Information |
Atom count
|
26 (13 without Hydrogen)
|
Polymer type
|
Amino Acid
|
Type description
|
L-PEPTIDE LINKING
|
Type code
|
ATOMP
|
Is modified
|
Yes
|
Standard parent
|
PHE
|
Defined at
|
1999-07-08
|
Last modified at
|
2023-11-03
|
Status
|
Released
|
Obsoleted
|
Not Assigned
|
|