IKJ
Summary
| Name: | (2~{S})-2-azanyl-3-[4-(1-boranyl-1$l^{5}-phospholan-1-yl)phenyl]propanoic acid |
| Synonyms: | P3F |
| Formula: | C13 H21 B N O2 P |
| Formal charge: | 0 |
| Formula weight: | 265.096 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-3-[4-(1-boranyl-1$l^{5}-phospholan-1-yl)phenyl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H21BNO2P/c14-18(7-1-2-8-18)11-5-3-10(4-6-11)9-12(15)13(16)17/h3-6,12,18H,1-2,7-9,14-15H2,(H,16,17)/t12-/m0/s1 |
| InChIKey | InChI | 1.06 | HHYGRNJKTQQZGG-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | B[PH]1(CCCC1)c2ccc(C[C@H](N)C(O)=O)cc2 |
| SMILES | CACTVS | 3.385 | B[PH]1(CCCC1)c2ccc(C[CH](N)C(O)=O)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | BP1(CCCC1)c2ccc(cc2)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | BP1(CCCC1)c2ccc(cc2)CC(C(=O)O)N |
