200,000+ products from a single source!
sales@angenechem.com
113042-48-1 | L-Proline, 1-[N-[N-(4-iodobenzoyl)-L-phenylalanyl]glycyl]-
CAS No: 113042-48-1 Catalog No: AG0081M8 MDL No:
Product Description
Catalog Number:
AG0081M8
Chemical Name:
L-Proline, 1-[N-[N-(4-iodobenzoyl)-L-phenylalanyl]glycyl]-
CAS Number:
113042-48-1
Molecular Formula:
C23H24IN3O5
Molecular Weight:
549.3582
IUPAC Name:
1-[2-[[2-[(4-iodobenzoyl)amino]-3-phenylpropanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C23H24IN3O5/c24-17-10-8-16(9-11-17)21(29)26-18(13-15-5-2-1-3-6-15)22(30)25-14-20(28)27-12-4-7-19(27)23(31)32/h1-3,5-6,8-11,18-19H,4,7,12-14H2,(H,25,30)(H,26,29)(H,31,32)
InChI Key:
VIMCOJISQMFDIL-UHFFFAOYSA-N
SMILES:
O=C([C@@H](NC(=O)c1ccc(cc1)I)Cc1ccccc1)NCC(=O)N1CCC[C@H]1C(=O)O
Properties
Complexity:
689
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
549.076g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
549.365g/mol
Monoisotopic Mass:
549.076g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.