Basic information
- CAS
2505045-86-1- Standard SMILES
CC(=O)OCNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C- InChIKey
MZBRJYLMNFPXHD-HJPURHCSSA-N- Molecular formula
- C26H31N3O6
- Average molar mass
- 481.5 g/mol
Names & identifiers
- Preferred name
- Fmoc-Val-Ala-aminomethyl acetate
- IUPAC
- [[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]propanoyl]amino]methyl acetate
- English name
- L-Alaninamide, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-valyl-N-[(acetyloxy)methyl]-
- Molecular formula
- C26H31N3O6
- Molecular weight
- 481.54
Names & synonyms
Fmoc-Val-Ala-aminomethyl acetate2505045-86-1(5S,8S)-1-(9H-Fluoren-9-yl)-5-isopropyl-8-methyl-3,6,9-trioxo-2-oxa-4,7,10-triazaundecan-11-yl acetateMFCD35224919Fmoc-VA-CH2OACorb2283422SCHEMBL27442526SCHEMBL30035445SCHEMBL31047719WLZ3822AS-98100DA-63575
Show more names
(5S,8S)-1-(9H-fluoren-9-yl-5-isopropyl-8-methyl-3,6,9-trioxo-2-oxa-4,7,10-triazadecan-11-yl acetate
SY356878HY-156813CS-0897735H40053T84816(S)-2-[(S)-2-(Fmoc-amino)-3-methylbutanamido]propanamido]methyl Acetate[(S)-2-[(S)-2-(Fmoc-amino)-3-methylbutanamido]propanamido]methyl AcetateL-Alaninamide, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-valyl-N-[(acetyloxy)methyl]-
Database identifiers
- CAS
2505045-86-1
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 750
Physicochemical properties
- Boiling point
- 746.9 · 746.9±60.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 10.63 · 10.63±0.46(Predicted)
- form
- Solid
- color
- White to off-white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 501 · P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Chemistry & industry
Applications
UsesFmoc-Val-Ala-aminomethyl acetate (Compound 58b) is an ADC Linker, and can be used for synthesis of ADCs[1].
Suppliers20 total
荟达医药科技(上海)有限公司15173502222 · [email protected]
成都翰唯生物科技有限公司17360178904 18217049878 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
海杰亚（成都）医药科技有限公司028-84502008 13568869383 · [email protected]
上海禧耀医药科技有限公司021-50896099 18017206244 · [email protected]
山东艾克森生物医药有限公司0531-18865936929 18865936929 · [email protected]
上海吉尔多肽有限公司+86-21-61263310 13764994101 · [email protected]
上海禾昇医药有限公司15051477682
成都英诺凌医药科技有限公司17882285575 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…