200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 191159-02-1
191159-02-1 | L-Lysinamide, D-phenylalanyl-L-prolyl-N-(4-nitrophenyl)- (9CI)
CAS No: 191159-02-1 Catalog No: AG002F2I MDL No:
Product Description
Catalog Number:
AG002F2I
Chemical Name:
L-Lysinamide, D-phenylalanyl-L-prolyl-N-(4-nitrophenyl)- (9CI)
CAS Number:
191159-02-1
Molecular Formula:
C26H34N6O5
Molecular Weight:
510.5854
IUPAC Name:
(2S)-N-[(2S)-6-amino-1-(4-nitroanilino)-1-oxohexan-2-yl]-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxamide
InChI:
InChI=1S/C26H34N6O5/c27-15-5-4-9-22(24(33)29-19-11-13-20(14-12-19)32(36)37)30-25(34)23-10-6-16-31(23)26(35)21(28)17-18-7-2-1-3-8-18/h1-3,7-8,11-14,21-23H,4-6,9-10,15-17,27-28H2,(H,29,33)(H,30,34)/t21-,22+,23+/m1/s1
InChI Key:
BKIBYDNMRWBARX-VJBWXMMDSA-N
SMILES:
NCCCC[C@@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N
Properties
Complexity:
776
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
510.259g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
510.595g/mol
Monoisotopic Mass:
510.259g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
176A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.