200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 162851-96-9
162851-96-9 | L-Phenylalaninamide, D-prolyl-L-phenylalanyl-N-(4-nitrophenyl)- (9CI)
CAS No: 162851-96-9 Catalog No: AG001TH0 MDL No:
Product Description
Catalog Number:
AG001TH0
Chemical Name:
L-Phenylalaninamide, D-prolyl-L-phenylalanyl-N-(4-nitrophenyl)- (9CI)
CAS Number:
162851-96-9
Molecular Formula:
C29H31N5O5
Molecular Weight:
529.5869
IUPAC Name:
(2R)-N-[(2S)-1-[[(2S)-1-(4-nitroanilino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide
InChI:
InChI=1S/C29H31N5O5/c35-27(24-12-7-17-30-24)32-26(19-21-10-5-2-6-11-21)29(37)33-25(18-20-8-3-1-4-9-20)28(36)31-22-13-15-23(16-14-22)34(38)39/h1-6,8-11,13-16,24-26,30H,7,12,17-19H2,(H,31,36)(H,32,35)(H,33,37)/t24-,25+,26+/m1/s1
InChI Key:
QCZCANASBXZILB-ZNZIZOMTSA-N
SMILES:
O=C([C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1)Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
828
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
529.233g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
529.597g/mol
Monoisotopic Mass:
529.233g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.