diABZI-V/C-DBCO
CAS: 3035557-60-6
| 1 | diABZI-V/C-DBCO |
| 2 | DBCO-Val-Cit-PABC-diABZI |
No description available for this item
| Molecular Formula | C78H89N19O13 |
|---|---|
| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 1500.7000 |
| InChIKey | YQIYAYDEUDNEHB-UGNZTZBXSA-N |
| InChI | InChI=1S/C78H89N19O13/c1-8-96-60(38-47(5)91-96)72(103)89-76-86-57-40-53(69(79)100)42-62(108-7)67(57)93(76)35-16-17-36-94-68-58(87-77(94)90-73(104)61-39-48(6)92-97(61)9-2)41-54(70(80)101)43-63(68)109-37-19-34-83-78(107)110-45-49-27-31-55(32-28-49)84-71(102)56(23-18-33-82-75(81)106)85-74(105)66(46(3)4)88-64(98)25-14-15-26-65(99)95-44-52-22-11-10-20-50(52)29-30-51-21-12-13-24-59(51)95/h10-13,16-17,20-22,24,27-28,31-32,38-43,46,56,66H,8-9,14-15,18-19,23,25-26,33-37,44-45H2,1-7H3,(H2,79,100)(H2,80,101)(H,83,107)(H,84,102)(H,85,105)(H,88,98)(H3,81,82,106)(H,86,89,103)(H,87,90,104)/b17-16+/t56-,66-/m0/s1 |
| XLogP | 5.4000 |
| ExactMass | 1499.6887 |
| MonoisotopicMass | 1499.6887 |
| TPSA | 435.0000 |
| Complexity | 3240.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 10 |
| HBondAcceptorCount | 17 |
| RotatableBondCount | 36 |
| HeavyAtomCount | 110 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 2 |
| DefinedAtomStereoCount | 2 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 1 |
| DefinedBondStereoCount | 1 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 0 |
| PatentFamilyCount | 0 |
| LiteratureCount | 0 |