| PDB CCD ID: | SD0 |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C13 H20 B N2 O6 |
| InChI: | InChI=1S/C13H20BN2O6/c15-11(12(18)19)5-9-1-3-10(4-2-9)14(20)21-7-13(16,6-17)8-22-14/h1-4,11,17,20H,5-8,15-16H2,(H,18,19)/q-1/t11-,13-,14+/m0/s1 |
| InChIKey: | ODSWUTOGRMJOFF-FPMFFAJLSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | [B-]1(OCC(CO1)(CO)N)(c2ccc(cc2)C[C@@H](C(=O)O)N)O | | OpenEye OEToolkits 2.0.7 | [B-]1(OCC(CO1)(CO)N)(c2ccc(cc2)CC(C(=O)O)N)O | | CACTVS 3.385 | N[CH](Cc1ccc(cc1)[B-]2(O)OCC(N)(CO)CO2)C(O)=O | | CACTVS 3.385 | N[C@@H](Cc1ccc(cc1)[B-]2(O)OCC(N)(CO)CO2)C(O)=O |
|
| Name: | (S)-5-amino-2-(4-(2-amino-2-carboxyethyl)phenyl)-2-hydroxy-5-(hydroxymethyl)-1,3,2-dioxaborinan-2-uide;
(2~{S})-2-azanyl-3-[4-[5-azanyl-5-(hydroxymethyl)-2-$l^{3}-oxidanyl-1,3,2$l^{4}-dioxaborinan-2-yl]phenyl]propanal |
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