RS8
Summary
| Name: | N-[(2-amino-4-oxo-1,4-dihydropteridin-7-yl)carbonyl]glycyl-L-phenylalanine |
| Formula: | C18 H17 N7 O5 |
| Formal charge: | 0 |
| Formula weight: | 411.371 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(2-amino-4-oxo-1,4-dihydropteridin-7-yl)carbonyl]glycyl-L-phenylalanine |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-[2-[(2-azanyl-4-oxidanylidene-1H-pteridin-7-yl)carbonylamino]ethanoylamino]-3-phenyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(NC(=O)CNC(=O)c1nc2c(nc1)C(=O)N=C(N)N2)Cc3ccccc3 |
| InChI | InChI | 1.03 | InChI=1S/C18H17N7O5/c19-18-24-14-13(16(28)25-18)20-7-11(23-14)15(27)21-8-12(26)22-10(17(29)30)6-9-4-2-1-3-5-9/h1-5,7,10H,6,8H2,(H,21,27)(H,22,26)(H,29,30)(H3,19,23,24,25,28)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | XYQCEJDIFQQSAN-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC1=NC(=O)c2ncc(nc2N1)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(O)=O |
| SMILES | CACTVS | 3.370 | NC1=NC(=O)c2ncc(nc2N1)C(=O)NCC(=O)N[CH](Cc3ccccc3)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)CNC(=O)c2cnc3c(n2)NC(=NC3=O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CC(C(=O)O)NC(=O)CNC(=O)c2cnc3c(n2)NC(=NC3=O)N |
