Basic information
- Standard SMILES
CC(C)N(C[C@@H](C(=O)O)c1ccc(Cl)cc1)C(=O)OC(C)(C)C- InChIKey
GQWRBNJRKSPGTF-CQSZACIVSA-N- Molecular formula
- C17H24ClNO4
- Average molar mass
- 341.8 g/mol
Names & identifiers
- Preferred name
- (2S)-3-[tert-butoxycarbonyl(isopropyl)amino]-2-(4-chlorophenyl)propanoic acid
- IUPAC
- (2S)-2-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoic acid
Names & synonyms
1001179-33-4(2S)-3-[tert-butoxycarbonyl(isopropyl)amino]-2-(4-chlorophenyl)propanoic acid(S)-3-((tert-butoxycarbonyl)(isopropyl)amino)-2-(4-chlorophenyl)propanoic acidMFCD29048717(2S)-2-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoic acid(2S)-3-[t-Butoxycarbonyl(isopropyl)amino]-2-(4-chlorophenyl)propanoic acid(2S)-3-{[(tert-butoxy)carbonyl](propan-2-yl)amino}-2-(4-chlorophenyl)propanoic acid(S)-3-[Boc(isopropyl)amino]-2-(4-chlorophenyl)propanoic AcidSCHEMBL191130SCHEMBL30571417GQWRBNJRKSPGTF-CQSZACIVSA-NAS-76877
Show more names
SY272631CS-0183816F624917(2S)-3-[Boc-(isopropyl)amino]-2-(4-chlorophenyl)propanoic acid(S)-3-((tert-butoxycarbonyl)(isopropyl)amino)-2-(4-chlorophenyl)propanoicacid(S)-3-((tert-butoxycarbonyl)isopropylamino)-2-(4-chlorophenyl)propanoic acid(S)-3-(tert -butoxycarbonyl(isopropyl)amino)-2-(4-chlorophenyl)propanoic acid(S)-3-(tert-butoxycarbonyl(isopropyl)amino) -2-(4-chlorophenyl)propanoic acid
Database identifiers
- PubChem CID
- 59564929
- Nikkaji
- J3.714.846F
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 411
Related reactions
35 records
Compound notes
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