| Phytochemical Name : Chymotrypsin |
| PCNDIDC0128 |
| Pubchem CID : 4052643 |
| Molecular formula: C23H25N5O8 |
| Canonical SMILES : C1=CC=C(C=C1)CC(C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CNC(=O)CNC(=O)CCC(=O)O |
Synonymes : Chymotrypsin Substrate I, Colorimetric|CHYMOTRYPSIN|9004-07-3|4-[[2-[[2-[[1-(4-nitroanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-oxobutanoic acid|a-Chymotrypsin|DTXSID30988741|C23H25N5O8|AKOS024350585|C23-H25-N5-O8|FT-0641215|N-Succinyl-Gly-Gly-Phe-p-nitroanilide, protease substrate|N-(3-Carboxy-1-oxopropyl)glycylglycyl-N-(4-nitrophenyl)-L-phenylalaninamide|4-Hydroxy-4-({2-hydroxy-2-[(2-hydroxy-2-{[1-(4-nitroanilino)-1-oxo-3-phenylpropan-2-yl]imino}ethyl)imino]ethyl}imino)butanoic acid |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.880 |
| Log Po/w (XLOGP3) : 0.390 |
| Log Po/w (WLOGP) : 0.170 |
| Log Po/w (MLOGP) : -0.450 |
| Log Po/w (SILICOS-IT) : -0.450 |
| Consensus Log Po/w : 0.310 |