OPN
Summary
| Name: | {(2-AMINO-ETHYL)-[2-(2-OXO-1,2-DIHYDRO-[1,8]NAPHTHYRIDIN-3-YL)-ACETYL]-AMINO}-ACETIC ACID |
| Formula: | C14 H17 N4 O4 |
| Formal charge: | 1 |
| Formula weight: | 305.309 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-{(carboxymethyl)[(2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl)acetyl]amino}ethanaminium |
| OpenEye OEToolkits | 1.5.0 | 2-[carboxymethyl-[2-(2-oxo-1H-1,8-naphthyridin-3-yl)ethanoyl]amino]ethylazanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CN(C(=O)CC2=Cc1c(nccc1)NC2=O)CC[NH3+] |
| SMILES_CANONICAL | CACTVS | 3.341 | [NH3+]CCN(CC(O)=O)C(=O)CC1=Cc2cccnc2NC1=O |
| SMILES | CACTVS | 3.341 | [NH3+]CCN(CC(O)=O)C(=O)CC1=Cc2cccnc2NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(nc1)NC(=O)C(=C2)CC(=O)N(CC[NH3+])CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(nc1)NC(=O)C(=C2)CC(=O)N(CC[NH3+])CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C14H16N4O4/c15-3-5-18(8-12(20)21)11(19)7-10-6-9-2-1-4-16-13(9)17-14(10)22/h1-2,4,6H,3,5,7-8,15H2,(H,20,21)(H,16,17,22)/p+1 |
| InChIKey | InChI | 1.03 | GHLDQLGYESXNRF-UHFFFAOYSA-O |
