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89032-48-4

89032-48-4 | Glycine, N-(N-L-histidyl-L-tryptophyl)-

CAS No: 89032-48-4 Catalog No: AG0042BT MDL No:

Product Description

Catalog Number:
AG0042BT
Chemical Name:
Glycine, N-(N-L-histidyl-L-tryptophyl)-
CAS Number:
89032-48-4
Molecular Formula:
C19H22N6O4
Molecular Weight:
398.4158
IUPAC Name:
2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetic acid
InChI:
InChI=1S/C19H22N6O4/c20-14(6-12-8-21-10-24-12)18(28)25-16(19(29)23-9-17(26)27)5-11-7-22-15-4-2-1-3-13(11)15/h1-4,7-8,10,14,16,22H,5-6,9,20H2,(H,21,24)(H,23,29)(H,25,28)(H,26,27)
InChI Key:
JVEKQAYXFGIISZ-UHFFFAOYSA-N
SMILES:
OC(=O)CNC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1nc[nH]c1)N

Properties

Complexity:
603  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.17g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
398.423g/mol
Monoisotopic Mass:
398.17g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.1  

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