LP0
Summary
| Name: | (7Z)-7-(2-amino-1,3-thiazol-4-yl)-1,1,3-trihydroxy-10,10-dimethyl-1,6-dioxo-2,9-dioxa-5,8-diaza-1lambda~5~-phospha-3-boraundec-7-en-11-oic acid |
| Formula: | C10 H16 B N4 O9 P S |
| Formal charge: | 0 |
| Formula weight: | 410.105 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (7Z)-7-(2-amino-1,3-thiazol-4-yl)-1,1,3-trihydroxy-10,10-dimethyl-1,6-dioxo-2,9-dioxa-5,8-diaza-1lambda~5~-phospha-3-boraundec-7-en-11-oic acid |
| OpenEye OEToolkits | 2.0.7 | 2-[(~{Z})-[1-(2-azanyl-1,3-thiazol-4-yl)-2-oxidanylidene-2-[[oxidanyl(phosphonooxy)boranyl]methylamino]ethylidene]amino]oxy-2-methyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OP(O)(=O)OB(O)CNC(\C(=N/OC(C)(C(O)=O)C)c1csc(n1)N)=O |
| InChI | InChI | 1.03 | InChI=1S/C10H16BN4O9PS/c1-10(2,8(17)18)23-15-6(5-3-26-9(12)14-5)7(16)13-4-11(19)24-25(20,21)22/h3,19H,4H2,1-2H3,(H2,12,14)(H,13,16)(H,17,18)(H2,20,21,22)/b15-6- |
| InChIKey | InChI | 1.03 | NLJWLRKAKQZXHE-UUASQNMZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(O\N=C(/C(=O)NCB(O)O[P](O)(O)=O)c1csc(N)n1)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)(ON=C(C(=O)NCB(O)O[P](O)(O)=O)c1csc(N)n1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B(CNC(=O)/C(=N\OC(C)(C)C(=O)O)/c1csc(n1)N)(O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | B(CNC(=O)C(=NOC(C)(C)C(=O)O)c1csc(n1)N)(O)OP(=O)(O)O |
