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Home > Nitro Compounds > 94588-09-7

94588-09-7

94588-09-7 | L-Phenylalaninamide, L-alanyl-L-prolyl-L-alanyl-L-leucyl-N-(4-nitrophenyl)-

CAS No: 94588-09-7 Catalog No: AG00H5ZT MDL No:

Product Description

Catalog Number:
AG00H5ZT
Chemical Name:
L-Phenylalaninamide, L-alanyl-L-prolyl-L-alanyl-L-leucyl-N-(4-nitrophenyl)-
CAS Number:
94588-09-7
Molecular Formula:
C32H43N7O7
Molecular Weight:
637.7265
IUPAC Name:
1-(2-aminopropanoyl)-N-[1-[[4-methyl-1-[[1-(4-nitroanilino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
InChI:
InChI=1S/C32H43N7O7/c1-19(2)17-25(36-28(40)21(4)34-31(43)27-11-8-16-38(27)32(44)20(3)33)30(42)37-26(18-22-9-6-5-7-10-22)29(41)35-23-12-14-24(15-13-23)39(45)46/h5-7,9-10,12-15,19-21,25-27H,8,11,16-18,33H2,1-4H3,(H,34,43)(H,35,41)(H,36,40)(H,37,42)
InChI Key:
PQANQZJMTKCSJB-UHFFFAOYSA-N
SMILES:
CC(C[C@@H](C(=O)N[C@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C)C)C

Properties

Complexity:
1080  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
637.322g/mol
Formal Charge:
0
Heavy Atom Count:
46  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
637.738g/mol
Monoisotopic Mass:
637.322g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
209A^2
Undefined Atom Stereocenter Count:
5  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

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