56W
Summary
| Name: | (2R,6R)-2-{[(R)-[(3R)-3-(acetylamino)-3-carboxypropyl](hydroxy)phosphoryl]methyl}-6-aminoheptanedioic acid |
| Formula: | C14 H25 N2 O9 P |
| Formal charge: | 0 |
| Formula weight: | 396.33 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,6R)-2-{[(R)-[(3R)-3-(acetylamino)-3-carboxypropyl](hydroxy)phosphoryl]methyl}-6-aminoheptanedioic acid |
| OpenEye OEToolkits | 1.9.2 | (2R,6R)-2-[[[(3R)-3-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-oxidanyl-phosphoryl]methyl]-6-azanyl-heptanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(CCC(C(=O)O)CP(CCC(C(=O)O)NC(=O)C)(=O)O)C(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C14H25N2O9P/c1-8(17)16-11(14(22)23)5-6-26(24,25)7-9(12(18)19)3-2-4-10(15)13(20)21/h9-11H,2-7,15H2,1H3,(H,16,17)(H,18,19)(H,20,21)(H,22,23)(H,24,25)/t9-,10+,11+/m0/s1 |
| InChIKey | InChI | 1.03 | AWMPEAXWUINOES-HBNTYKKESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@H](CC[P](O)(=O)C[C@H](CCC[C@@H](N)C(O)=O)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)N[CH](CC[P](O)(=O)C[CH](CCC[CH](N)C(O)=O)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(=O)N[C@H](CCP(=O)(C[C@H](CCC[C@H](C(=O)O)N)C(=O)O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(=O)NC(CCP(=O)(CC(CCCC(C(=O)O)N)C(=O)O)O)C(=O)O |
