200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 74589-13-2
74589-13-2 | L-Phenylalaninamide, glycylglycyl-L-valyl-N-(4-nitrophenyl)-
CAS No: 74589-13-2 Catalog No: AG005AN3 MDL No:
Product Description
Catalog Number:
AG005AN3
Chemical Name:
L-Phenylalaninamide, glycylglycyl-L-valyl-N-(4-nitrophenyl)-
CAS Number:
74589-13-2
Molecular Formula:
C24H30N6O6
Molecular Weight:
498.5316
IUPAC Name:
(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methyl-N-[(2S)-1-(4-nitroanilino)-1-oxo-3-phenylpropan-2-yl]butanamide
InChI:
InChI=1S/C24H30N6O6/c1-15(2)22(29-21(32)14-26-20(31)13-25)24(34)28-19(12-16-6-4-3-5-7-16)23(33)27-17-8-10-18(11-9-17)30(35)36/h3-11,15,19,22H,12-14,25H2,1-2H3,(H,26,31)(H,27,33)(H,28,34)(H,29,32)/t19-,22-/m0/s1
InChI Key:
FTTLEOODWWDRJW-UGKGYDQZSA-N
SMILES:
NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])Cc1ccccc1)C(C)C
Properties
Complexity:
772
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
498.223g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
498.54g/mol
Monoisotopic Mass:
498.223g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
188A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.