10F
Summary
| Name: | N-({4-[{[(2R,4S,4aR,6S,8aS)-2-amino-4-hydroxydecahydropteridin-6-yl]methyl}(formyl)amino]phenyl}carbonyl)-D-glutamic acid |
| Formula: | C20 H29 N7 O7 |
| Formal charge: | 0 |
| Formula weight: | 479.487 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-({4-[{[(2R,4S,4aR,6S,8aS)-2-amino-4-hydroxydecahydropteridin-6-yl]methyl}(formyl)amino]phenyl}carbonyl)-D-glutamic acid |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-[[4-[[(2R,4S,4aR,6S,8aS)-2-amino-4-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydropteridin-6-yl]methyl-methanoyl-amino]phenyl]carbonylamino]pentanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(NC(=O)c1ccc(cc1)N(C=O)CC2NC3C(NC2)NC(N)NC3O)CCC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@H]1N[C@@H](O)[C@@H]2N[C@@H](CN[C@H]2N1)CN(C=O)c3ccc(cc3)C(=O)N[C@H](CCC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH]1N[CH](O)[CH]2N[CH](CN[CH]2N1)CN(C=O)c3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(=O)N[C@H](CCC(=O)O)C(=O)O)N(C[C@@H]2CN[C@@H]3[C@@H](N2)[C@@H](N[C@@H](N3)N)O)C=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)N(CC2CNC3C(N2)C(NC(N3)N)O)C=O |
| InChI | InChI | 1.03 | InChI=1S/C20H29N7O7/c21-20-25-16-15(18(32)26-20)23-11(7-22-16)8-27(9-28)12-3-1-10(2-4-12)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,11,13,15-16,18,20,22-23,25-26,32H,5-8,21H2,(H,24,31)(H,29,30)(H,33,34)/t11-,13+,15+,16-,18-,20+/m0/s1 |
| InChIKey | InChI | 1.03 | VSNRWTPIADGZQS-GVIHMSOPSA-N |
