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178249-42-8

178249-42-8 | L-Alanine, L-phenylalanylglycylglycyl-L-phenylalanyl-L-threonylglycyl-

CAS No: 178249-42-8 Catalog No: AG0025V0 MDL No:

Product Description

Catalog Number:
AG0025V0
Chemical Name:
L-Alanine, L-phenylalanylglycylglycyl-L-phenylalanyl-L-threonylglycyl-
CAS Number:
178249-42-8
Molecular Formula:
C31H41N7O9
Molecular Weight:
655.6987
IUPAC Name:
(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]propanoic acid
InChI:
InChI=1S/C31H41N7O9/c1-18(31(46)47)36-25(41)17-35-30(45)27(19(2)39)38-29(44)23(14-21-11-7-4-8-12-21)37-26(42)16-33-24(40)15-34-28(43)22(32)13-20-9-5-3-6-10-20/h3-12,18-19,22-23,27,39H,13-17,32H2,1-2H3,(H,33,40)(H,34,43)(H,35,45)(H,36,41)(H,37,42)(H,38,44)(H,46,47)/t18-,19+,22-,23-,27-/m0/s1
InChI Key:
KVTLKXLQUDUFSD-FLSSTNBBSA-N
SMILES:
C[C@H]([C@@H](C(=O)NCC(=O)N[C@H](C(=O)O)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)N)O

Properties

Complexity:
1090  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
655.297g/mol
Formal Charge:
0
Heavy Atom Count:
47  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
9  
Isotope Atom Count:
0
Molecular Weight:
655.709g/mol
Monoisotopic Mass:
655.297g/mol
Rotatable Bond Count:
18  
Topological Polar Surface Area:
258A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.3  

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