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139558-79-5 | Glycinamide, N-acetyl-L-alanylglycyl-L-alanylglycyl-L-alanyl-N-methyl- (9CI)
CAS No: 139558-79-5 Catalog No: AG001BAB MDL No:
Product Description
Catalog Number:
AG001BAB
Chemical Name:
Glycinamide, N-acetyl-L-alanylglycyl-L-alanylglycyl-L-alanyl-N-methyl- (9CI)
CAS Number:
139558-79-5
Molecular Formula:
C18H31N7O7
Molecular Weight:
457.4814
IUPAC Name:
2-acetamido-N-[2-[[1-[[2-[[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]propanamide
InChI:
InChI=1S/C18H31N7O7/c1-9(23-12(4)26)16(30)21-7-14(28)25-11(3)18(32)22-8-15(29)24-10(2)17(31)20-6-13(27)19-5/h9-11H,6-8H2,1-5H3,(H,19,27)(H,20,31)(H,21,30)(H,22,32)(H,23,26)(H,24,29)(H,25,28)
InChI Key:
RTQKSIHWBFMRHR-UHFFFAOYSA-N
SMILES:
CNC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)C)C)C)C
Properties
Complexity:
741
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
457.228g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
457.488g/mol
Monoisotopic Mass:
457.228g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
204A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.2
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