| CAS Number | 19361-52-5 |
| Catalog Number | AG00ACH8(AGN-PC-0O6DL0) |
| Chemical Name | Ac-Phe-Tyr-NH2 |
| IUPAC Name | (2S)-2-acetamido-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-phenylpropanamide |
| InChI | InChI=1S/C20H23N3O4/c1-13(24)22-18(12-14-5-3-2-4-6-14)20(27)23-17(19(21)26)11-15-7-9-16(25)10-8-15/h2-10,17-18,25H,11-12H2,1H3,(H2,21,26)(H,22,24)(H,23,27)/t17-,18-/m0/s1 |
| InChI Key | NRNUHNDVXOFSJO-ROUUACIJSA-N |
| MDL Number | MFCD00020202 |
| Molecular Formula | C20H23N3O4 |
| Molecular Weight | 369.4143 |
| SMILES | CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(N)=O |
| Synonyms | Ac-Phe-Tyr-NH2,
19361-52-5,
AC1ODTJV,
N-ACETYL-L-PHENYLALANYL-L-TYROSINAMIDE,
AC1Q1K91,
CHEMBL210784,
CTK8F7573,
DTXSID10427269,
ZINC2566267,
6107AH,
MFCD00020202,
AKOS024324465,
(2S)-N-[(1S)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]-2-acetamido-3-phenylpropanamide,
(S)-2-acetamido-N-((S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)-3-phenylpropanamide,
(2S)-2-acetamido-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-phenylpropanamide,
C20H23N3O4,
ZINC02566267,
CID7020629,
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| Complexity | 511 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 369.169g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 369.421g/mol |
| Monoisotopic Mass | 369.169g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 122A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
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