TNQ
Summary
| Name: | 6-[(carboxymethyl)amino]-7-hydroxy-L-tryptophan |
| Formula: | C13 H15 N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 293.275 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-[(carboxymethyl)amino]-7-hydroxy-L-tryptophan |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyl-3-[6-(2-hydroxy-2-oxoethylamino)-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)NCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C13H15N3O5/c14-8(13(20)21)3-6-4-16-11-7(6)1-2-9(12(11)19)15-5-10(17)18/h1-2,4,8,15-16,19H,3,5,14H2,(H,17,18)(H,20,21)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | OVNQKDAKGBDVIB-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1c[nH]c2c(O)c(NCC(O)=O)ccc12)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1c[nH]c2c(O)c(NCC(O)=O)ccc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)NCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(c2c1c(c[nH]2)CC(C(=O)O)N)O)NCC(=O)O |
