GGA
Summary
| Name: | D-GAMMA-GLUTAMYL-N-{[(R)-{4-[(4-AMINOBUTYL)AMINO]BUTYL}(PHOSPHONOOXY)PHOSPHORYL]METHYL}-D-ALANINAMIDE |
| Formula: | C17 H37 N5 O9 P2 |
| Formal charge: | 0 |
| Formula weight: | 517.451 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | D-gamma-glutamyl-N-{[(R)-{4-[(4-aminobutyl)amino]butyl}(phosphonooxy)phosphoryl]methyl}-D-alaninamide |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-amino-5-[[(2R)-1-[[4-(4-aminobutylamino)butyl-phosphonooxy-phosphoryl]methylamino]-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(OP(=O)(O)O)(CNC(=O)C(NC(=O)CCC(C(=O)O)N)C)CCCCNCCCCN |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NC[P@@](=O)(CCCCNCCCCN)O[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | C[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NC[P](=O)(CCCCNCCCCN)O[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H](C(=O)NC[P@@](=O)(CCCCNCCCCN)OP(=O)(O)O)NC(=O)CC[C@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(=O)NCP(=O)(CCCCNCCCCN)OP(=O)(O)O)NC(=O)CCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C17H37N5O9P2/c1-13(22-15(23)7-6-14(19)17(25)26)16(24)21-12-32(27,31-33(28,29)30)11-5-4-10-20-9-3-2-8-18/h13-14,20H,2-12,18-19H2,1H3,(H,21,24)(H,22,23)(H,25,26)(H2,28,29,30)/t13-,14-,32-/m1/s1 |
| InChIKey | InChI | 1.03 | GBZVPDJOUXPMNB-HPMPJWHZSA-N |
