Primary record
PPPNTBPVQUEWKE-ZDUSSCGKSA-N
- CAS
- 401906-14-7
- PubChem CID
- 58018322
- SMILES
- C1=CC(=C(C(=C1)Cl)C(=O)N[C@@H](CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O)Cl
- Molecular Formula
- C16H12Cl2N2O5
- Molecular Weight
- 383.187
- Exact Mass
- 382.0123
- InChI
- InChI=1S/C16H12Cl2N2O5/c17-11-2-1-3-12(18)14(11)15(21)19-13(16(22)23)8-9-4-6-10(7-5-9)20(24)25/h1-7,13H,8H2,(H,19,21)(H,22,23)/t13-/m0/s1
- InChIKey
- PPPNTBPVQUEWKE-ZDUSSCGKSA-N
- LogP
- 3.3273
- TPSA
- 109.54
Names and synonyms
- SCHEMBL181399
- PPPNTBPVQUEWKE-ZDUSSCGKSA-N
- DB-387094
- N-(2,6-Dichlorobenzoyl)-4-nitro-L-phenylalanine
- J2.327.268G
- 4-nitro-N-(2,6-dichlorobenzoyl)-L-phenylalanine
- Nalpha-(2,6-dichlorobenzoyl)-4-nitro-L-phenylalanine
- (2S)-2-[(2,6-dichlorophenyl)formamido]-3-(4-nitrophenyl)propanoic acid
- 401906-14-7