Boc-D-aspartic acid 4-benzyl ester
Properties
- Molecular formula
- C16H21NO6
- Molar mass
- 323.35 g/mol
- Exact mass
- 323.1369 Da
- logP
- 2.10Crippen estimate
- Polar surface area
- 101.9 Ų
- H-bond donors / acceptors
- 2 / 5
- Rotatable bonds
- 6
- Stereocentres
- Rin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
51186-58-4SMILES
CC(C)(C)OC(=O)N[C@H](CC(=O)OCC1=CC=CC=C1)C(=O)OInChIKey
SOHLZANWVLCPHK-GFCCVEGCSA-NInChI
InChI=1S/C16H21NO6/c1-16(2,3)23-15(21)17-12(14(19)20)9-13(18)22-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,19,20)/t12-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- Boc-D-asp(OBzl)-OH
Work with Boc-D-aspartic acid 4-benzyl ester
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
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Boc-dap(Z)-oh65710-57-875 % similar
(R)-3-(Benzyloxy)-2-((tert-butoxycarbonyl)amino)propanoic acid47173-80-874 % similar
Z-D-Glu(otbu)-oh51644-83-872 % similar
L-N-Cbz-3-N-boc-amino-alanine16947-84-572 % similar
Boc-L-beta-Homoaspartic acid254101-10-572 % similar
Boc-dl-phe-oh4530-18-171 % similar
Boc-L-homophenylalanine100564-78-170 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds