Metabolite Monomethyl Auristatin-F M2 Metabolite
- Name
- Monomethyl Auristatin-F M2 Metabolite
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 717.949
Monoisotopic: 717.467664009 - Chemical Formula
- C38H63N5O8
- InChI Key
- RLEINRCQCKOBDC-UHFFFAOYSA-N
- InChI
- InChI=1S/C38H63N5O8/c1-11-24(6)33(42(8)37(47)32(23(4)5)41-36(46)31(39)22(2)3)29(50-9)21-30(44)43-19-15-18-28(43)34(51-10)25(7)35(45)40-27(38(48)49)20-26-16-13-12-14-17-26/h12-14,16-17,22-25,27-29,31-34H,11,15,18-21,39H2,1-10H3,(H,40,45)(H,41,46)(H,48,49)
- IUPAC Name
- 2-{2-[(1-{4-[2-(2-amino-3-methylbutanamido)-N,3-dimethylbutanamido]-3-methoxy-5-methylheptanoyl}pyrrolidin-2-yl)(methoxy)methyl]propanamido}-3-phenylpropanoic acid
- SMILES
- CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(CC1=CC=CC=C1)C(O)=O)OC)N(C)C(=O)C(NC(=O)C(N)C(C)C)C(C)C
- Reactions
- Belantamab mafodotin Monomethyl Auristatin-F
- Monomethyl Auristatin-F Monomethyl Auristatin-F M2 Metabolite
- Monomethyl Auristatin-F Monomethyl Auristatin-F M3 Metabolite
- Monomethyl Auristatin-F Monomethyl Auristatin-F M6 Metabolite
- Belantamab mafodotin Monomethyl Auristatin-F
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 256.57346 predictedDeepCCS 1.0 (2019) [M+H]+ 258.39838 predictedDeepCCS 1.0 (2019) [M+Na]+ 264.00418 predictedDeepCCS 1.0 (2019) - External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0129 mg/mL ALOGPS logP 0.89 ALOGPS logP 1.01 Chemaxon logS -4.8 ALOGPS pKa (Strongest Acidic) 3.61 Chemaxon pKa (Strongest Basic) 8.21 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 180.6 Å2 Chemaxon Rotatable Bond Count 20 Chemaxon Refractivity 193.73 m3·mol-1 Chemaxon Polarizability 79.41 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon