| CAS Number | 167498-29-5 |
| Catalog Number | AG00AP3N(AGN-PC-015JPP) |
| Chemical Name | Z-FY-CHO |
| IUPAC Name | benzyl N-[(2S)-1-[[(2S)-1-(4-hydroxyphenyl)-3-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate |
| InChI | InChI=1S/C26H26N2O5/c29-17-22(15-20-11-13-23(30)14-12-20)27-25(31)24(16-19-7-3-1-4-8-19)28-26(32)33-18-21-9-5-2-6-10-21/h1-14,17,22,24,30H,15-16,18H2,(H,27,31)(H,28,32)/t22-,24-/m0/s1 |
| InChI Key | QVDJMLQSYRSZKC-UPVQGACJSA-N |
| MDL Number | MFCD00942274 |
| Molecular Formula | C26H26N2O5 |
| Molecular Weight | 446.4950 |
| SMILES | OC1=CC=C(C=C1)C[C@@H](C=O)NC([C@H](CC1=CC=CC=C1)NC(OCC1=CC=CC=C1)=O)=O |
| Synonyms | N-(benzyloxycarbonyl)-phenylalanyl-tyrosinal,
Z-FY-CHO,
Z-Phe-Tyr-al,
167498-29-5,
Z-Phe-Tyr-aldehyde,
CHEMBL177914,
Z-FY-CHO,
SCHEMBL7028202,
ZINC3813507,
BDBM50084650,
MFCD00942274,
SB-412515,
N-(benzyloxycarbonyl)-phenylalanyl-l-tyrosinal,
{(S)-1-[(S)-1-Formyl-2-(4-hydroxy-phenyl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid benzyl ester,
{1-[1-Formyl-2-(4-hydroxy-phenyl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid benzyl ester(Cbz-Phe-Tyr-CHO),
Cathepsin-L Inhibitor,
Cathepsin L inhibitor,
CID10456222,
Benzyl N-[(1S)-1-[[(2S)-1-(4-hydroxyphenyl)-3-oxo-propan-2-yl]carbamoyl]-2-phenyl-ethyl]carbamate,
|
| Complexity | 608 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 446.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 446.503g/mol |
| Monoisotopic Mass | 446.184g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number