N-(tert-Butoxycarbonyl)alanylalanyl-N-(4-nitrophenyl)alaninamide
Basic information
- CAS
50439-37-7- Standard SMILES
CC(NC(=O)OC(C)(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)Nc1ccc([N+](=O)[O-])cc1- InChIKey
NLHMYSNTLSQYTQ-UHFFFAOYSA-N- Molecular formula
- C20H29N5O7
- Average molar mass
- 451.5 g/mol
- Monoisotopic mass
- 451.20669828
Names & identifiers
- Preferred name
- N-(tert-Butoxycarbonyl)alanylalanyl-N-(4-nitrophenyl)alaninamide
- IUPAC
- tert-butyl N-[1-[[1-[[1-(4-nitroanilino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
Names & synonyms
50439-37-7NSC339938DTXSID90319118N-(tert-Butoxycarbonyl)alanylalanyl-N-(4-nitrophenyl)alaninamideNSC-339938
Database identifiers
- CAS
50439-37-7- PubChem CID
- 334526
- DTXSID
DTXSID90319118
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 171 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 708
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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