4IN
Summary
| Name: | 4-AMINO-L-TRYPTOPHAN |
| Synonyms: | 2-AMINO-3-(4-AMINO-1H-INDOL-3-YL)PROPANOIC ACID |
| Formula: | C11 H13 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 219.24 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-amino-L-tryptophan |
| OpenEye OEToolkits | 1.7.2 | (2S)-2-azanyl-3-(4-azanyl-1H-indol-3-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)Cc2c1c(cccc1nc2)N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](Cc1c[nH]c2cccc(N)c12)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](Cc1c[nH]c2cccc(N)c12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1cc(c2c(c1)[nH]cc2C[C@@H](C(=O)O)N)N |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1cc(c2c(c1)[nH]cc2CC(C(=O)O)N)N |
| InChI | InChI | 1.03 | InChI=1S/C11H13N3O2/c12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16/h1-3,5,8,14H,4,12-13H2,(H,15,16)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | JUDQOTGDEFNIKF-QMMMGPOBSA-N |
