Fmoc-L-Asp(OtBu)-HmbGly-OH
Basic information
- CAS
502640-94-0- Standard SMILES
COc1ccc(CN(CC(=O)O)C(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)c(O)c1- InChIKey
XDJHXXOYIQLAEM-MHZLTWQESA-N- Molecular formula
- C33H36N2O9
- Average molar mass
- 604.6 g/mol
- Monoisotopic mass
- 604.24208073
Names & identifiers
- Preferred name
- Fmoc-L-Asp(OtBu)-HmbGly-OH
- IUPAC
- 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]-[(2-hydroxy-4-methoxyphenyl)methyl]amino]acetic acid
- English name
- FMOC-ASP(OTBU)-(HMB)GLY-OH
- Molecular formula
- C33H36N2O9
- Molecular weight
- 604.65
Names & synonyms
Fmoc-L-Asp(OtBu)-HmbGly-OH502640-94-0Fmoc-Asp(Otbu)-(Hmb)Gly-OHMFCD066564872-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]-[(2-hydroxy-4-methoxyphenyl)methyl]amino]acetic acidFmoc-Asp(OtBu)-N-(2-hydroxy-4-methoxy-Bzl)-Gly-OHDTXSID60373308AKOS030242558E70740{(2S)-4-tert-Butoxy-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-N-[(2-hydroxy-4-methoxyphenyl)methyl]-4-oxobutanamido}acetic acid2-[[(2S)-4-tert-butoxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-butanoyl]-[(2-hydroxy-4-methoxy-phenyl)methyl]amino]acetic acidFmoc-Asp(OtBu)-N(Hmb)-Gly-OH
Show more names
(9H-Fluoren-9-yl)MethOxy]Carbonyl Asp(OtBu)-N(Hmb)-Gly-OH(S)-N-(2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-(tert-butoxy)-4-oxobutanoyl)-N-(2-hydroxy-4-methoxybenzyl)glycineN-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alpha-aspartyl-N-[(2-hydroxy-4-methoxyphenyl)methyl]glycine 1-(1,1-dimethylethyl) esterGlycine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-α-aspartyl-N-[(2-hydroxy-4-methoxyphenyl)methyl]-, 1-(1,1-dimethylethyl) ester2-[(2S)-4-(tert-butoxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-N-[(2-hydroxy-4-methoxyphenyl)methyl]-4-oxobutanamido]acetic acid
Database identifiers
- CAS
502640-94-0- PubChem CID
- 2756239
- DTXSID
DTXSID60373308- Nikkaji
- J2.319.329I
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 14
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 992
Physicochemical properties
- Boiling point
- 840.1 · 840.1±65.0 °C(Predicted)
- Density
- 1.298 · 1.298±0.06 g/cm3(Predicted)
- pka
- 3.2 · 3.20±0.10(Predicted)
- HS Code
- 29225090 · 29225090
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
- hs_code
- 29225090
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Compound notes
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