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824953-16-4

824953-16-4 | L-Phenylalanine, L-seryl-L-serylglycylglycyl-L-seryl-L-leucyl-

CAS No: 824953-16-4 Catalog No: AG00504E MDL No:

Product Description

Catalog Number:
AG00504E
Chemical Name:
L-Phenylalanine, L-seryl-L-serylglycylglycyl-L-seryl-L-leucyl-
CAS Number:
824953-16-4
Molecular Formula:
C28H43N7O11
Molecular Weight:
653.6813
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C28H43N7O11/c1-15(2)8-18(26(43)34-19(28(45)46)9-16-6-4-3-5-7-16)33-27(44)21(14-38)32-23(40)11-30-22(39)10-31-25(42)20(13-37)35-24(41)17(29)12-36/h3-7,15,17-21,36-38H,8-14,29H2,1-2H3,(H,30,39)(H,31,42)(H,32,40)(H,33,44)(H,34,43)(H,35,41)(H,45,46)/t17-,18-,19-,20-,21-/m0/s1
InChI Key:
VYGHNIKLAICYAJ-SXYSDOLCSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)CC(C)C)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)N)CO

Properties

Complexity:
1050  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
653.302g/mol
Formal Charge:
0
Heavy Atom Count:
46  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
11  
Isotope Atom Count:
0
Molecular Weight:
653.69g/mol
Monoisotopic Mass:
653.302g/mol
Rotatable Bond Count:
20  
Topological Polar Surface Area:
299A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-6.1  

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