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742068-52-6

742068-52-6 | L-Phenylalanine, glycylglycyl-L-lysyl-L-prolyl-L-prolyl-L-lysyl-L-prolyl-

CAS No: 742068-52-6 Catalog No: AG005DDD MDL No:

Product Description

Catalog Number:
AG005DDD
Chemical Name:
L-Phenylalanine, glycylglycyl-L-lysyl-L-prolyl-L-prolyl-L-lysyl-L-prolyl-
CAS Number:
742068-52-6
Molecular Formula:
C40H62N10O9
Molecular Weight:
826.9819
IUPAC Name:
(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-1-[(2S)-6-amino-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C40H62N10O9/c41-18-6-4-13-27(45-34(52)25-44-33(51)24-43)37(55)50-22-10-17-32(50)39(57)49-21-9-16-31(49)35(53)46-28(14-5-7-19-42)38(56)48-20-8-15-30(48)36(54)47-29(40(58)59)23-26-11-2-1-3-12-26/h1-3,11-12,27-32H,4-10,13-25,41-43H2,(H,44,51)(H,45,52)(H,46,53)(H,47,54)(H,58,59)/t27-,28-,29-,30-,31-,32-/m0/s1
InChI Key:
FGBPCDYIDDRRPL-JNRWAQIZSA-N
SMILES:
NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CNC(=O)CN)CCCCN

Properties

Complexity:
1480  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0
Exact Mass:
826.47g/mol
Formal Charge:
0
Heavy Atom Count:
59  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
8  
Isotope Atom Count:
0
Molecular Weight:
826.997g/mol
Monoisotopic Mass:
826.47g/mol
Rotatable Bond Count:
22  
Topological Polar Surface Area:
293A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.5  

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