HT7
Summary
| Name: | (3S)-3-AMINO-4-(1H-INDOL-3-YL)BUTANOIC ACID |
| Synonyms: | BETA-HOMOTRYPTOPHAN |
| Formula: | C12 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 218.252 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-3-amino-4-(1H-indol-3-yl)butanoic acid |
| OpenEye OEToolkits | 1.7.2 | (3S)-3-azanyl-4-(1H-indol-3-yl)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CC(N)Cc2c1ccccc1nc2 |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@H](CC(O)=O)Cc1c[nH]c2ccccc12 |
| SMILES | CACTVS | 3.370 | N[CH](CC(O)=O)Cc1c[nH]c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc2c(c1)c(c[nH]2)C[C@@H](CC(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc2c(c1)c(c[nH]2)CC(CC(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C12H14N2O2/c13-9(6-12(15)16)5-8-7-14-11-4-2-1-3-10(8)11/h1-4,7,9,14H,5-6,13H2,(H,15,16)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | DUVVFMLAHWNDJD-VIFPVBQESA-N |
