QNV
Summary
| Name: | (1S,2S)-4-hydroxy-1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid |
| Formula: | C19 H16 N2 O6 |
| Formal charge: | 0 |
| Formula weight: | 368.34 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1S,2S)-4-hydroxy-1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | (1~{S},2~{S})-4-oxidanyl-1-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-7-yl)carbonylamino]-2,3-dihydro-1~{H}-indene-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1ccc2NC(=O)COc2c1 |
| InChI | InChI | 1.03 | InChI=1S/C19H16N2O6/c22-14-3-1-2-10-11(14)7-12(19(25)26)17(10)21-18(24)9-4-5-13-15(6-9)27-8-16(23)20-13/h1-6,12,17,22H,7-8H2,(H,20,23)(H,21,24)(H,25,26)/t12-,17+/m0/s1 |
| InChIKey | InChI | 1.03 | NPDVANGOGQJPGW-YVEFUNNKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@H]1Cc2c(O)cccc2[C@H]1NC(=O)c3ccc4NC(=O)COc4c3 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1Cc2c(O)cccc2[CH]1NC(=O)c3ccc4NC(=O)COc4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(c1)O)C[C@@H]([C@@H]2NC(=O)c3ccc4c(c3)OCC(=O)N4)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc4c(c3)OCC(=O)N4)C(=O)O |
