SFE
Summary
Name: | (3S)-3-amino-3-phenylpropanoic acid |
Synonyms: | S-BETA-PHENYLALANINE |
Formula: | C9 H11 N O2 |
Formal charge: | 0 |
Formula weight: | 165.189 Da |
Component type: | PEPTIDE LINKING |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (3S)-3-amino-3-phenylpropanoic acid |
OpenEye OEToolkits | 1.7.2 | 3-azanyl-3-phenyl-propanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)CC(N)c1ccccc1 |
SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](CC(O)=O)c1ccccc1 |
SMILES | CACTVS | 3.370 | N[CH](CC(O)=O)c1ccccc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)C(CC(=O)O)N |
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 |