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917571-55-2 | Glycinamide, L-alanyl-L-phenylalanyl-N-(di-1H-imidazol-2-ylmethyl)-
CAS No: 917571-55-2 Catalog No: AG006PNZ MDL No:
Product Description
Catalog Number:
AG006PNZ
Chemical Name:
Glycinamide, L-alanyl-L-phenylalanyl-N-(di-1H-imidazol-2-ylmethyl)-
CAS Number:
917571-55-2
Molecular Formula:
C21H26N8O3
Molecular Weight:
438.4829
IUPAC Name:
(2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-[2-[bis(1H-imidazol-2-yl)methylamino]-2-oxoethyl]-3-phenylpropanamide
InChI:
InChI=1S/C21H26N8O3/c1-13(22)20(31)28-15(11-14-5-3-2-4-6-14)21(32)27-12-16(30)29-17(18-23-7-8-24-18)19-25-9-10-26-19/h2-10,13,15,17H,11-12,22H2,1H3,(H,23,24)(H,25,26)(H,27,32)(H,28,31)(H,29,30)/t13-,15-/m0/s1
InChI Key:
VTMDSXVMUZPDSS-ZFWWWQNUSA-N
SMILES:
O=C(NC(c1ncc[nH]1)c1ncc[nH]1)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)C
Properties
Complexity:
627
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
438.213g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
438.492g/mol
Monoisotopic Mass:
438.213g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
171A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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