8KK
Summary
| Name: | ~{N}-[(2~{S})-1-(3-azanylpropylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid |
| Formula: | C18 H31 N4 O5 P |
| Formal charge: | 0 |
| Formula weight: | 414.436 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[(2~{S})-1-(3-azanylpropylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H31N4O5P/c1-14(2)11-16(17(23)20-10-6-9-19)22-28(25,26)13-21-18(24)27-12-15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13,19H2,1-2H3,(H,20,23)(H,21,24)(H2,22,25,26)/t16-/m0/s1 |
| InChIKey | InChI | 1.03 | YXKYWNUEXNHFHI-INIZCTEOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@H](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)NCCCN |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)NCCCN |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)C[C@@H](C(=O)NCCCN)NP(=O)(CNC(=O)OCc1ccccc1)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)CC(C(=O)NCCCN)NP(=O)(CNC(=O)OCc1ccccc1)O |
