UF0
Summary
| Name: | O-[(R)-hydroxy{[(3R)-3-hydroxy-4-{[3-({2-[(hydroxyacetyl)amino]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]oxy}phosphoryl]-L-serine |
| Formula: | C16 H31 N4 O11 P |
| Formal charge: | 0 |
| Formula weight: | 486.411 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | (2S)-2-azanyl-3-[hydroxy-[(3R)-3-hydroxy-4-[[3-[2-(2-hydroxyethanoylamino)ethylamino]-3-oxo-propyl]amino]-2,2-dimethyl-4-oxo-butoxy]phosphoryl]oxy-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | CC(C)(CO[P](O)(=O)OC[C@H](N)C(O)=O)[C@@H](O)C(=O)NCCC(=O)NCCNC(=O)CO |
| SMILES | CACTVS | 3.352 | CC(C)(CO[P](O)(=O)OC[CH](N)C(O)=O)[CH](O)C(=O)NCCC(=O)NCCNC(=O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)(CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)[C@H](C(=O)NCCC(=O)NCCNC(=O)CO)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)(COP(=O)(O)OCC(C(=O)O)N)C(C(=O)NCCC(=O)NCCNC(=O)CO)O |
| InChI | InChI | 1.03 | InChI=1S/C16H31N4O11P/c1-16(2,9-31-32(28,29)30-8-10(17)15(26)27)13(24)14(25)20-4-3-11(22)18-5-6-19-12(23)7-21/h10,13,21,24H,3-9,17H2,1-2H3,(H,18,22)(H,19,23)(H,20,25)(H,26,27)(H,28,29)/t10-,13-/m0/s1 |
| InChIKey | InChI | 1.03 | BKLLNZDPEYUPTK-GWCFXTLKSA-N |
