IFQ
Summary
| Name: | (2S)-2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]-4-phenyl-butanoic acid |
| Synonyms: | (S)-2-(2-amino-4-oxo-3,4-dihydropteridine-7-carboxamido)-4-phenylbutanoic acid |
| Formula: | C17 H16 N6 O4 |
| Formal charge: | 0 |
| Formula weight: | 368.347 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]-4-phenyl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H16N6O4/c18-17-22-13-12(15(25)23-17)19-8-11(20-13)14(24)21-10(16(26)27)7-6-9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,21,24)(H,26,27)(H3,18,20,22,23,25)/t10-/m0/s1 |
| InChIKey | InChI | 1.06 | CHPGDIWMRACXGP-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=Nc2nc(cnc2C(=O)N1)C(=O)N[C@@H](CCc3ccccc3)C(O)=O |
| SMILES | CACTVS | 3.385 | NC1=Nc2nc(cnc2C(=O)N1)C(=O)N[CH](CCc3ccccc3)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CC[C@@H](C(=O)O)NC(=O)c2cnc3c(n2)N=C(NC3=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCC(C(=O)O)NC(=O)c2cnc3c(n2)N=C(NC3=O)N |
