| CAS Number | 180977-03-1 |
| Catalog Number | AG00AQIP(AGN-PC-0O54GX) |
| Chemical Name | L-Methionine, N-[(5-amino[1,1'-biphenyl]-2-yl)carbonyl]-, methyl ester |
| IUPAC Name | methyl (2S)-2-[(4-amino-2-phenylbenzoyl)amino]-4-methylsulfanylbutanoate |
| InChI | InChI=1S/C19H22N2O3S/c1-24-19(23)17(10-11-25-2)21-18(22)15-9-8-14(20)12-16(15)13-6-4-3-5-7-13/h3-9,12,17H,10-11,20H2,1-2H3,(H,21,22)/t17-/m0/s1 |
| InChI Key | MCSVVHVRYQWPDV-KRWDZBQOSA-N |
| MDL Number | MFCD01683928 |
| Molecular Formula | C19H22N2O3S |
| Molecular Weight | 358.4546 |
| SMILES | COC(=O)[C@H](CCSC)NC(=O)C1=C(C=C(C=C1)N)C2=CC=CC=C2 |
| Synonyms | 180977-03-1,
N-(4-Amino-2-phenylbenzoyl)methionine methyl ester,
MCSVVHVRYQWPDV-KRWDZBQOSA-N,
SCHEMBL629135,
ZINC59965920,
V3905,
4-amino-2-phenylbenzoyl methionine methyl ester,
K-5530,
(4-amino-2-phenylbenzoyl)methionine methyl ester,
4-amino-2-phenylbenzoyl-L-methionine methyl ester,
N-(5-Amino-2-biphenylylcarbonyl)-L-methionine methyl ester,
METHYL (2S)-2-[(4-AMINO-2-PHENYLPHENYL)FORMAMIDO]-4-(METHYLSULFANYL)BUTANOATE,
C19H22N2O3S,
|
| Complexity | 440 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 358.135g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 358.456g/mol |
| Monoisotopic Mass | 358.135g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number