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113789-21-2

113789-21-2 | Glycine, glycyl-L-histidyl-L-histidyl-L-prolyl-L-histidyl-

CAS No: 113789-21-2 Catalog No: AG0009NY MDL No:

Product Description

Catalog Number:
AG0009NY
Chemical Name:
Glycine, glycyl-L-histidyl-L-histidyl-L-prolyl-L-histidyl-
CAS Number:
113789-21-2
Molecular Formula:
C27H36N12O7
Molecular Weight:
640.6509
IUPAC Name:
2-[[2-[[1-[2-[[2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetic acid
InChI:
InChI=1S/C27H36N12O7/c28-7-22(40)36-19(5-16-9-30-13-34-16)25(44)38-20(6-17-10-31-14-35-17)27(46)39-3-1-2-21(39)26(45)37-18(4-15-8-29-12-33-15)24(43)32-11-23(41)42/h8-10,12-14,18-21H,1-7,11,28H2,(H,29,33)(H,30,34)(H,31,35)(H,32,43)(H,36,40)(H,37,45)(H,38,44)(H,41,42)
InChI Key:
RFUBHHPNXCFGHJ-UHFFFAOYSA-N
SMILES:
NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)O)Cc1c[nH]cn1)Cc1c[nH]cn1)Cc1c[nH]cn1

Properties

Complexity:
1110  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
640.283g/mol
Formal Charge:
0
Heavy Atom Count:
46  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
9  
Isotope Atom Count:
0
Molecular Weight:
640.662g/mol
Monoisotopic Mass:
640.283g/mol
Rotatable Bond Count:
16  
Topological Polar Surface Area:
286A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.5  

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