N-(4-Amino-2-phenylbenzoyl)methionine methyl ester - CAS 180977-03-1
Catalog: |
BB061399 |
Product Name: |
N-(4-Amino-2-phenylbenzoyl)methionine methyl ester |
CAS: |
180977-03-1 |
Synonyms: |
N-(4-Amino-2-phenylbenzoyl)methionine methyl ester; methyl (2S)-2-[(4-amino-2-phenylbenzoyl)amino]-4-methylsulfanylbutanoate; 4-amino-2-phenylbenzoyl methionine methyl ester; (4-amino-2-phenylbenzoyl)methionine methyl ester; N-(4-Amino-2-phenylbenzoyl)methioninemethylester |
IUPAC Name: | methyl (2S)-2-[(4-amino-2-phenylbenzoyl)amino]-4-methylsulfanylbutanoate |
Description: | N-(4-Amino-2-phenylbenzoyl)methionine methyl ester |
Molecular Weight: | 358.45 |
Molecular Formula: | C19H22N2O3S |
Canonical SMILES: | COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)N)C2=CC=CC=C2 |
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 |
Complexity: | 440 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 358.13511374 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 358.13511374 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 107Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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