Basic information
- CAS
147291-69-8- Standard SMILES
CC(C)(C)OC(=O)NC(CC(=O)OCc1ccccc1)C(=O)O- InChIKey
SOHLZANWVLCPHK-UHFFFAOYSA-N- Molecular formula
- C16H21NO6
- Average molar mass
- 323.34 g/mol
- Monoisotopic mass
- 323.13688739
Names & identifiers
- Preferred name
- t-Butyloxycarbonylaspartic acid alpha-benzyl ester
- IUPAC
- 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylmethoxybutanoic acid
- English name
- Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(phenylmethyl) ester
- Molecular formula
- C16H21NO6
- Molecular weight
- 323.34
Names & synonyms
t-Butyloxycarbonylaspartic acid alpha-benzyl esterRefChem:187064147291-69-84-(benzyloxy)-2-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid4-(Benzyloxy)-2-((tert-butoxycarbonyl)amino)-4-oxobutanoic acidBoc-D-aspartic acid 4-benzyl esterD-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(phenylmethyl)ester4-(BENZYLOXY)-2-{[(TERT-BUTOXY)CARBONYL]AMINO-4-OXOBUTANOIC ACIDN-tert-Butoxycarbonyl-L-aspartic acid 4-benzyl ester2-tert-Butoxycarbonylamino-succinic acid 4-benzyl ester4-(benzyloxy)-2-(tert-butoxycarbonylamino)-4-oxobutanoic acidBOC-DL-Aspartic acid 4-benzylester
Show more names
N-Boc-DL-aspartic acid 4-benzyl ester(Tert-Butoxy)Carbonyl DL-Asp(OBzl)-OHAspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(phenylmethyl) ester
MLS0007785844-(Benzyloxy)-2-([(tert-butoxy)carbonyl]amino)-4-oxobutanoic acidNSC-118538Boc-DL-Asp(OBn)-OHB8JQ67EU7KSCHEMBL344670CHEMBL1906597SOHLZANWVLCPHK-UHFFFAOYSA-N
Database identifiers
- CAS
147291-69-8、7536-58-5- PubChem CID
- 82036
- ChEMBL
CHEMBL1906597- UNII
- B8JQ67EU7K
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 423
Experimental & physicochemical properties
Solubility>48.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 508.1 · 508.1±50.0 °C(Predicted)
- Density
- 1.219 · 1.219±0.06 g/cm3(Predicted)
- pka
- 3.65 · 3.65±0.23(Predicted)
- FDA UNII
- 8 JQ67EU7K · B8JQ67EU7K
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers9 total
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
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吉尔多肽生物制药(大连市)有限公司021-61263455 13167021076 · [email protected]
Capot Chemical Co.,Ltd.+86-(0)57185586718 +86-13336195806 · [email protected]
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DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
8 records
Compound notes
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