| PDB CCD ID: | TQQ |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C11 H11 N3 O3 |
| InChI: | InChI=1S/C11H11N3O3/c12-7-2-1-6-5(3-8(13)11(16)17)4-14-9(6)10(7)15/h1-2,4,8,12,14H,3,13H2,(H,16,17)/b12-7-/t8-/m0/s1 |
| InChIKey: | OLHQENDZXBLIDH-VQLBTBKJSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | N[CH](Cc1c[nH]c2C(=O)C(=N)C=Cc12)C(O)=O | | CACTVS 3.341 | N[C@@H](Cc1c[nH]c2C(=O)C(=N)C=Cc12)C(O)=O | | ACDLabs 10.04 | O=C(O)C(N)Cc2c1C=CC(=[N@H])C(=O)c1nc2 | | OpenEye OEToolkits 1.5.0 | [H]N=C1C=Cc2c(c[nH]c2C1=O)CC(C(=O)O)N | | OpenEye OEToolkits 1.5.0 | [H]/N=C\1/C=Cc2c(c[nH]c2C1=O)C[C@@H](C(=O)O)N |
|
| Name: | (S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-7-OXO-1H-INDOL-3-YL)PROPANOIC ACID;
3-[(6E)-6-IMINO-7-OXO-6,7-DIHYDRO-1H-INDOL-3-YL]-L-ALANINE |
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