A1AMN
Summary
| Name: | N-formyl-L-valyl-N-[2-({N-[(2S)-2-hydroxy-4-{[(S)-hydroxy(oxo)-lambda~5~-phosphanyl]oxy}-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl]glycinamide |
| Formula: | C19 H36 N5 O10 P |
| Formal charge: | 0 |
| Formula weight: | 525.49 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-formyl-L-valyl-N-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]glycinamide |
| OpenEye OEToolkits | 2.0.7 | [(3~{R})-4-[[3-[2-[2-[[(2~{S})-2-formamido-3-methyl-butanoyl]amino]ethanoylamino]ethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCNC(=O)CNC(=O)C(NC=O)C(C)C |
| InChI | InChI | 1.06 | InChI=1S/C19H36N5O10P/c1-12(2)15(24-11-25)17(29)23-9-14(27)21-8-7-20-13(26)5-6-22-18(30)16(28)19(3,4)10-34-35(31,32)33/h11-12,15-16,28H,5-10H2,1-4H3,(H,20,26)(H,21,27)(H,22,30)(H,23,29)(H,24,25)(H2,31,32,33)/t15-,16-/m0/s1 |
| InChIKey | InChI | 1.06 | GDYWXJHQLCXGCW-HOTGVXAUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@H](NC=O)C(=O)NCC(=O)NCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)[CH](NC=O)C(=O)NCC(=O)NCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)[C@@H](C(=O)NCC(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O)NC=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C(C(=O)NCC(=O)NCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O)NC=O |
