IAM
Summary
| Name: | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE |
| Formula: | C13 H20 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 236.31 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-{[(1-methylethyl)amino]methyl}-L-phenylalanine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-[4-[(propan-2-ylamino)methyl]phenyl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)Cc1ccc(cc1)CNC(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)NCc1ccc(C[C@H](N)C(O)=O)cc1 |
| SMILES | CACTVS | 3.341 | CC(C)NCc1ccc(C[CH](N)C(O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)NCc1ccc(cc1)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)NCc1ccc(cc1)CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C13H20N2O2/c1-9(2)15-8-11-5-3-10(4-6-11)7-12(14)13(16)17/h3-6,9,12,15H,7-8,14H2,1-2H3,(H,16,17)/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | RXWNCPQKMXQDHN-LBPRGKRZSA-N |
