TGH
Summary
| Name: | 6-{[(S)-carboxy(hydroxy)methyl]amino}-7-hydroxy-L-tryptophan |
| Formula: | C13 H15 N3 O6 |
| Formal charge: | 0 |
| Formula weight: | 309.275 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-{[(S)-carboxy(hydroxy)methyl]amino}-7-hydroxy-L-tryptophan |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-3-[6-[[(1~{S})-1,2-bis(oxidanyl)-2-oxidanylidene-ethyl]amino]-7-oxidanyl-1~{H}-indol-3-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(C(=O)O)Cc1cnc2c1ccc(c2O)NC(C(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C13H15N3O6/c14-7(12(19)20)3-5-4-15-9-6(5)1-2-8(10(9)17)16-11(18)13(21)22/h1-2,4,7,11,15-18H,3,14H2,(H,19,20)(H,21,22)/t7-,11-/m0/s1 |
| InChIKey | InChI | 1.03 | MBJXCQRMERAPOO-CPCISQLKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1c[nH]c2c(O)c(N[C@@H](O)C(O)=O)ccc12)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1c[nH]c2c(O)c(N[CH](O)C(O)=O)ccc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)N[C@H](C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(c2c1c(c[nH]2)CC(C(=O)O)N)O)NC(C(=O)O)O |
