200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 201738-99-0
201738-99-0 | L-Alaninamide, L-phenylalanyl-L-prolyl-N-(4-nitrophenyl)- (9CI)
CAS No: 201738-99-0 Catalog No: AG0027SQ MDL No:
Product Description
Catalog Number:
AG0027SQ
Chemical Name:
L-Alaninamide, L-phenylalanyl-L-prolyl-N-(4-nitrophenyl)- (9CI)
CAS Number:
201738-99-0
Molecular Formula:
C23H27N5O5
Molecular Weight:
453.4910
IUPAC Name:
(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]-N-[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
InChI:
InChI=1S/C23H27N5O5/c1-15(21(29)26-17-9-11-18(12-10-17)28(32)33)25-22(30)20-8-5-13-27(20)23(31)19(24)14-16-6-3-2-4-7-16/h2-4,6-7,9-12,15,19-20H,5,8,13-14,24H2,1H3,(H,25,30)(H,26,29)/t15-,19-,20-/m0/s1
InChI Key:
IQYNDHOCCCUVDQ-YSSFQJQWSA-N
SMILES:
O=C([C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N)C)Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
713
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
453.201g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
453.499g/mol
Monoisotopic Mass:
453.201g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.