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827611-92-7 | Glycinamide, N-acetyl-L-phenylalanylglycyl-N-(3-carboxyphenyl)-
CAS No: 827611-92-7 Catalog No: AG004YSD MDL No:
Product Description
Catalog Number:
AG004YSD
Chemical Name:
Glycinamide, N-acetyl-L-phenylalanylglycyl-N-(3-carboxyphenyl)-
CAS Number:
827611-92-7
Molecular Formula:
C22H24N4O6
Molecular Weight:
440.4492
IUPAC Name:
3-[[2-[[2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]benzoic acid
InChI:
InChI=1S/C22H24N4O6/c1-14(27)25-18(10-15-6-3-2-4-7-15)21(30)24-12-19(28)23-13-20(29)26-17-9-5-8-16(11-17)22(31)32/h2-9,11,18H,10,12-13H2,1H3,(H,23,28)(H,24,30)(H,25,27)(H,26,29)(H,31,32)/t18-/m0/s1
InChI Key:
WQKQOELHQMOBOV-SFHVURJKSA-N
SMILES:
O=C(CNC(=O)[C@H](Cc1ccccc1)NC(=O)C)NCC(=O)Nc1cccc(c1)C(=O)O
Properties
Complexity:
692
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
440.17g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
440.456g/mol
Monoisotopic Mass:
440.17g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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