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138680-02-1 | D-Tyrosinamide, 1-acetyl-L-prolyl-N-methyl- (9CI)
CAS No: 138680-02-1 Catalog No: AG0018ZO MDL No:
Product Description
Catalog Number:
AG0018ZO
Chemical Name:
D-Tyrosinamide, 1-acetyl-L-prolyl-N-methyl- (9CI)
CAS Number:
138680-02-1
Molecular Formula:
C17H23N3O4
Molecular Weight:
333.3822
IUPAC Name:
1-acetyl-N-[3-(4-hydroxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
InChI:
InChI=1S/C17H23N3O4/c1-11(21)20-9-3-4-15(20)17(24)19-14(16(23)18-2)10-12-5-7-13(22)8-6-12/h5-8,14-15,22H,3-4,9-10H2,1-2H3,(H,18,23)(H,19,24)
InChI Key:
SIXCDZISTSNKJJ-UHFFFAOYSA-N
SMILES:
CNC(=O)[C@@H](Cc1ccc(cc1)O)NC(=O)[C@@H]1CCCN1C(=O)C
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.169g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
333.388g/mol
Monoisotopic Mass:
333.169g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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