1TQ
Summary
| Name: | 6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAN |
| Formula: | C12 H13 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 263.249 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 6-(formylamino)-7-hydroxy-L-tryptophan |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-(6-formamido-7-hydroxy-1H-indol-3-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)Cc2c1ccc(c(O)c1nc2)NC=O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](Cc1c[nH]c2c(O)c(NC=O)ccc12)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](Cc1c[nH]c2c(O)c(NC=O)ccc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)NC=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(c2c1c(c[nH]2)CC(C(=O)O)N)O)NC=O |
| InChI | InChI | 1.03 | InChI=1S/C12H13N3O4/c13-8(12(18)19)3-6-4-14-10-7(6)1-2-9(11(10)17)15-5-16/h1-2,4-5,8,14,17H,3,13H2,(H,15,16)(H,18,19)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | KQHVKFIVZSZCEC-QMMMGPOBSA-N |
