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89032-51-9 | Glycine, N-[N-(N-glycyl-L-histidyl)-L-tryptophyl]-
CAS No: 89032-51-9 Catalog No: AG0042Q5 MDL No:
Product Description
Catalog Number:
AG0042Q5
Chemical Name:
Glycine, N-[N-(N-glycyl-L-histidyl)-L-tryptophyl]-
CAS Number:
89032-51-9
Molecular Formula:
C21H25N7O5
Molecular Weight:
455.4671
IUPAC Name:
2-[[2-[[2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetic acid
InChI:
InChI=1S/C21H25N7O5/c22-7-18(29)27-17(6-13-9-23-11-26-13)21(33)28-16(20(32)25-10-19(30)31)5-12-8-24-15-4-2-1-3-14(12)15/h1-4,8-9,11,16-17,24H,5-7,10,22H2,(H,23,26)(H,25,32)(H,27,29)(H,28,33)(H,30,31)
InChI Key:
HOIDPXMRRLDWDY-UHFFFAOYSA-N
SMILES:
NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)O)Cc1c[nH]c2c1cccc2)Cc1nc[nH]c1
Properties
Complexity:
721
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
455.192g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
455.475g/mol
Monoisotopic Mass:
455.192g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
195A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.4
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