SFE
(3S)-3-amino-3-phenylpropanoic acid
Created: | 2011-05-30 |
Last modified: | 2024-09-27 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 23 |
Chiral Atom Count | 1 |
Bond Count | 23 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
---|---|
Name | (3S)-3-amino-3-phenylpropanoic acid |
Synonyms | S-BETA-PHENYLALANINE |
Systematic Name (OpenEye OEToolkits) | 3-azanyl-3-phenyl-propanoic acid |
Formula | C9 H11 N O2 |
Molecular Weight | 165.189 |
Type | PEPTIDE LINKING |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)CC(N)c1ccccc1 |
SMILES | CACTVS | 3.370 | N[CH](CC(O)=O)c1ccccc1 |
SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)C(CC(=O)O)N |
Canonical SMILES | CACTVS | 3.370 | N[C@@H](CC(O)=O)c1ccccc1 |
Canonical SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)C(CC(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C9H11NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 |
InChIKey | InChI | 1.03 | UJOYFRCOTPUKAK-QMMMGPOBSA-N |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 6921435, 686704 |
ChEBI | CHEBI:68525, CHEBI:68506 |