| CAS Number | 63649-15-0 |
| Catalog Number | AG00IB90(AGN-PC-0OEB9W) |
| Chemical Name | H-Phe-leu-obzl |
| IUPAC Name | benzyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoate |
| InChI | InChI=1S/C22H28N2O3/c1-16(2)13-20(22(26)27-15-18-11-7-4-8-12-18)24-21(25)19(23)14-17-9-5-3-6-10-17/h3-12,16,19-20H,13-15,23H2,1-2H3,(H,24,25)/t19-,20-/m0/s1 |
| InChI Key | WHGLYHPTKLTQMK-PMACEKPBSA-N |
| MDL Number | MFCD01632089 |
| Molecular Formula | C22H28N2O3 |
| Molecular Weight | 368.4693 |
| SMILES | CC(C[C@@H](C(=O)OCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N)C |
| Synonyms | L-phenylalanyl-L-leucine benzyl ester,
H-PHE-LEU-OBZL,
63649-15-0,
Phe-Leu-OBzl,
h-phe-leu-obzl, AldrichCPR,
SCHEMBL11680813,
CTK6A4216,
WHGLYHPTKLTQMK-PMACEKPBSA-N,
KM5421,
MFCD01632089,
ZINC59337127,
L-PHENYLALANYL-L-LEUCINE BENZYLESTER,
L-Leucine, N-L-phenylalanyl-, phenylmethyl ester,
CID11783563,
Benzyl (2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-4-methyl-pentanoate,
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| Complexity | 455 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 368.21g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 368.477g/mol |
| Monoisotopic Mass | 368.21g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 81.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number