Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C- InChIKey
CIIPFNPETNNJDS-UHFFFAOYSA-N- Molecular formula
- C18H26N2O6
- Average molar mass
- 366.4 g/mol
- Monoisotopic mass
- 366.17908655
Names & identifiers
- Preferred name
- Phenylalanine, N-t-butyloxycarbonyl-4-nitro-, t-butyl ester
- IUPAC
- tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoate
Names & synonyms
tert-butyl 2-{[(tert-butoxy)carbonyl]amino}-3-(4-nitrophenyl)propanoate180146-36-5SCHEMBL6674404Phenylalanine, N-t-butyloxycarbonyl-4-nitro-, t-butyl esterREA36627EN300-28300536N-BOC-4-NITRO-L-PHENYLALANINE-T-BUTYL ESTERPhenylalanine, N-tertbutyloxycarbonyl-4-nitro-, tertbutyl(ester)2-t-butoxycarbonylamino-3-(4-nitrophenyl)propionic acid t-butyl estertert-Butyl 2-[(tert-butoxycarbonyl)amino]-3-(4-nitrophenyl)propanoate #
Database identifiers
- PubChem CID
- 546503
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 507
Related reactions
2 records
Compound notes
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