Basic information
- CAS
60354-61-2- Standard SMILES
C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1- InChIKey
PNLFGUZFZPZVIB-GUBZILKMSA-N- Molecular formula
- C15H21N5O5
- Average molar mass
- 351.36 g/mol
- Monoisotopic mass
- 351.15426877
Names & identifiers
- Preferred name
- AAA-pNA
- IUPAC
- (2S)-2-amino-N-[(2S)-1-[[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
Names & synonyms
AAA-pNA60354-61-2AC1OJOOJorb2567131SCHEMBL1651305DTXSID50428492HY-P4460DA-50075CS-0654336T85536L-Alanyl-L-alanyl-N-(4-nitrophenyl)-L-alaninamide(S)-2-Amino-N-((S)-1-(((S)-1-((4-nitrophenyl)amino)-1-oxopropan-2-yl)amino)-1-oxopropan-2-yl)propanamide
Database identifiers
- CAS
60354-61-2- PubChem CID
- 7272003
- DTXSID
DTXSID50428492- Nikkaji
- J3.078.008F
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 513
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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