| CAS Number | 6401-63-4 |
| Catalog Number | AG00EDIG(AGN-PC-0OEIWQ) |
| Chemical Name | Z-Leu-Phe-OH |
| IUPAC Name | (2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-phenylpropanoic acid |
| InChI | InChI=1S/C23H28N2O5/c1-16(2)13-19(25-23(29)30-15-18-11-7-4-8-12-18)21(26)24-20(22(27)28)14-17-9-5-3-6-10-17/h3-12,16,19-20H,13-15H2,1-2H3,(H,24,26)(H,25,29)(H,27,28)/t19-,20-/m0/s1 |
| InChI Key | FGUNAJHARUGMEF-PMACEKPBSA-N |
| MDL Number | MFCD00191122 |
| Molecular Formula | C23H28N2O5 |
| Molecular Weight | 412.4788 |
| SMILES | CC(C[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)NC(=O)OCc1ccccc1)C |
| Synonyms | Z-LEU-PHE-OH,
6401-63-4,
Z-Leu-Phe,
Z-Leu-Phe-COOH,
Z-L-Leu-L-Phe-OH,
AC1OLR6N,
SCHEMBL7327426,
FGUNAJHARUGMEF-PMACEKPBSA-N,
ZINC4899622,
7932AH,
KM0802,
MFCD00191122,
AKOS030632598,
benzyloxy-carbonyl-l-leucyl-l-phenylalanine,
N-benzyloxycarbonyl-L-leucyl-L-phenylalanine,
(S)-2-((S)-2-(benzyloxycarbonylamino)-4-methylpentanamido)-3-phenylpropanoic acid,
(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-phenylpropanoic acid,
C23H28N2O5,
CID7408339,
(2S)-2-[[(2S)-4-methyl-2-phenylmethoxycarbonylamino-pentanoyl]amino]-3-phenyl-propanoic Acid,
|
| Complexity | 554 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 412.2g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 412.486g/mol |
| Monoisotopic Mass | 412.2g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number