2VF
Summary
| Name: | (2R)-9-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid |
| Formula: | C15 H15 Cl N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 306.744 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-9-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | (2R)-9-(2-azanyl-2-oxidanylidene-ethyl)-6-chloranyl-1,2,3,4-tetrahydrocarbazole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C3CCc2c1c(ccc(Cl)c1)n(c2C3)CC(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C15H15ClN2O3/c16-9-2-4-12-11(6-9)10-3-1-8(15(20)21)5-13(10)18(12)7-14(17)19/h2,4,6,8H,1,3,5,7H2,(H2,17,19)(H,20,21)/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | WEITVQPGVPEPAZ-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)Cn1c2C[C@@H](CCc2c3cc(Cl)ccc13)C(O)=O |
| SMILES | CACTVS | 3.385 | NC(=O)Cn1c2C[CH](CCc2c3cc(Cl)ccc13)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1Cl)c3c(n2CC(=O)N)C[C@@H](CC3)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1Cl)c3c(n2CC(=O)N)CC(CC3)C(=O)O |
