| CAS Number | 133367-32-5 |
| Catalog Number | AG009IXH(AGN-PC-0PJZWE) |
| Chemical Name | H-His(1-mtt)-oh |
| IUPAC Name | (2S)-2-amino-3-[1-[(4-methylphenyl)-diphenylmethyl]imidazol-4-yl]propanoic acid |
| InChI | InChI=1S/C26H25N3O2/c1-19-12-14-22(15-13-19)26(20-8-4-2-5-9-20,21-10-6-3-7-11-21)29-17-23(28-18-29)16-24(27)25(30)31/h2-15,17-18,24H,16,27H2,1H3,(H,30,31)/t24-/m0/s1 |
| InChI Key | USIYUUIKLMCEIP-DEOSSOPVSA-N |
| MDL Number | MFCD00237169 |
| Molecular Formula | C26H25N3O2 |
| Molecular Weight | 411.4956 |
| SMILES | CC1=CC=C(C=C1)C(N1C=NC(C[C@H](N)C(O)=O)=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonyms | H-HIS(1-MTT)-OH,
133367-32-5,
AC1OLRDE,
H-His(tau-Mtt)-OH,
ZINC4899678,
7170AH,
MFCD00237169,
AS-49175,
K-4185,
(2S)-2-amino-3-[1-[(4-methylphenyl)-diphenylmethyl]imidazol-4-yl]propanoic acid,
(S)-2-Amino-3-(1-(diphenyl(p-tolyl)methyl)-1H-imidazol-4-yl)propanoic acid,
C26H25N3O2,
CID7408434,
(2S)-2-amino-3-[1-[(4-methylphenyl)-diphenyl-methyl]imidazol-4-yl]propanoic Acid,
|
| Complexity | 559 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 411.195g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 411.505g/mol |
| Monoisotopic Mass | 411.195g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 81.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number