IF4
Summary
| Name: | (2S)-2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]-2-phenyl-ethanoic acid |
| Synonyms: | (S)-2-(2-amino-4-oxo-3,4-dihydropteridine-7-carboxamido)-2-phenylacetic acid |
| Formula: | C15 H12 N6 O4 |
| Formal charge: | 0 |
| Formula weight: | 340.294 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-[(2-azanyl-4-oxidanylidene-3~{H}-pteridin-7-yl)carbonylamino]-2-phenyl-ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H12N6O4/c16-15-20-11-10(13(23)21-15)17-6-8(18-11)12(22)19-9(14(24)25)7-4-2-1-3-5-7/h1-6,9H,(H,19,22)(H,24,25)(H3,16,18,20,21,23)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | CKTFFRDVMHUKQB-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=Nc2nc(cnc2C(=O)N1)C(=O)N[C@H](C(O)=O)c3ccccc3 |
| SMILES | CACTVS | 3.385 | NC1=Nc2nc(cnc2C(=O)N1)C(=O)N[CH](C(O)=O)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)[C@@H](C(=O)O)NC(=O)c2cnc3c(n2)N=C(NC3=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(C(=O)O)NC(=O)c2cnc3c(n2)N=C(NC3=O)N |
