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847069-43-6

847069-43-6 | L-Alaninamide, L-phenylalanyl-L-prolyl-L-leucyl-L-prolyl-

CAS No: 847069-43-6 Catalog No: AG004SN8 MDL No:

Product Description

Catalog Number:
AG004SN8
Chemical Name:
L-Alaninamide, L-phenylalanyl-L-prolyl-L-leucyl-L-prolyl-
CAS Number:
847069-43-6
Molecular Formula:
C28H42N6O5
Molecular Weight:
542.6703
IUPAC Name:
(2S)-N-[(2S)-1-[(2S)-2-[[(2S)-1-amino-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxamide
InChI:
InChI=1S/C28H42N6O5/c1-17(2)15-21(28(39)34-14-8-11-22(34)25(36)31-18(3)24(30)35)32-26(37)23-12-7-13-33(23)27(38)20(29)16-19-9-5-4-6-10-19/h4-6,9-10,17-18,20-23H,7-8,11-16,29H2,1-3H3,(H2,30,35)(H,31,36)(H,32,37)/t18-,20-,21-,22-,23-/m0/s1
InChI Key:
CXIHXMUUJFWFJU-SVXFZJLFSA-N
SMILES:
CC(C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N)C

Properties

Complexity:
905  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
542.322g/mol
Formal Charge:
0
Heavy Atom Count:
39  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
542.681g/mol
Monoisotopic Mass:
542.322g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
168A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

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