Basic information
- CAS
264273-08-7- Standard SMILES
O=C(O)CN1Cc2ccccc2C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1=O- InChIKey
RPAHAHMAXJASPS-DEOSSOPVSA-N- Molecular formula
- C27H24N2O5
- Average molar mass
- 456.5 g/mol
- Monoisotopic mass
- 456.16852187
Names & identifiers
- Preferred name
- 2-[(4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]acetic acid
- IUPAC
- 2-[(4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]acetic acid
- English name
- (S)-Fmoc-4-amino-2-carboxymethyl-1,3,4,5-tetrahydro-2H-[2]-benzazepin-3-one
- Molecular formula
- C27H24N2O5
- Molecular weight
- 456.49
Names & synonyms
264273-08-7MFCD04112699(S)-Fmoc-4-amino-2-carboxymethyl-1,3,4,5-tetrahydro-2H-[2]-benzazepin-3-one2-[(4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]acetic acid(4S)-4-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-1,3,4,5-tetrahydro-3-oxo-2H-2-benzazepine-2-acetic acidFmoc-(S)-4-amino-2-carboxymethyl-1,3,4,5-tetrahydro-2H-[2]benzazepin-3-one(S)-2-(4-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-oxo-4,5-dihydro-1H-benzo[c]azepin-2(3H)-yl)acetic acidSCHEMBL13923465FF500282H-2-Benzazepine-2-acetic acid, 4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-1,3,4,5-tetrahydro-3-oxo-, (4S)-SY495739E70688
Show more names
FMOC-(S)-4-AMINO-2-CARBOXYMETHYL-1,3,4,5-TETRAHYDRO-2H-[2]-BENZAZEPIN-3-ONE2-[(4S)-4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-oxo-2,3,4,5-tetrahydro-1H-2-benzazepin-2-yl]acetic acid(s)-2-(4-((((9h-Fluoren-9-yl)methoxy)carbonyl)amino)-3-oxo-1,3,4,5-tetrahydro-2h-benzo[c]azepin-2-yl)acetic acid
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 750
Physicochemical properties
- Boiling point
- 753.3 · 753.3±60.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- storage temp.
- 0 · Store at0-5°C
- pka
- 3.71 · 3.71±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
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-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers10 total
陕西科贝莱药物研发有限公司13119135307 13119135307 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
深圳乾延药物研发科技有限公司0755-28682735 13538090636 · [email protected]
上海吉尔多肽有限公司+86-21-61263310 13764994101 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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