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832088-90-1 | Glycinamide, N-acetylglycylglycyl-L-alanyl-L-alanyl-L-alanylglycyl-
CAS No: 832088-90-1 Catalog No: AG004ZYX MDL No:
Product Description
Catalog Number:
AG004ZYX
Chemical Name:
Glycinamide, N-acetylglycylglycyl-L-alanyl-L-alanyl-L-alanylglycyl-
CAS Number:
832088-90-1
Molecular Formula:
C19H32N8O8
Molecular Weight:
500.5062
IUPAC Name:
(2S)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-N-[(2S)-1-[[(2S)-1-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
InChI:
InChI=1S/C19H32N8O8/c1-9(17(33)24-7-15(31)22-5-13(20)29)26-19(35)11(3)27-18(34)10(2)25-16(32)8-23-14(30)6-21-12(4)28/h9-11H,5-8H2,1-4H3,(H2,20,29)(H,21,28)(H,22,31)(H,23,30)(H,24,33)(H,25,32)(H,26,35)(H,27,34)/t9-,10-,11-/m0/s1
InChI Key:
GJOCDAZRDZQMES-DCAQKATOSA-N
SMILES:
O=C(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N)C)C)C)CNC(=O)CNC(=O)C
Properties
Complexity:
847
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
500.234g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
500.513g/mol
Monoisotopic Mass:
500.234g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
247A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.2
Literature
| Title | Journal |
|---|---|
| Folding of an Ala-Ala-Ala tripeptide into a beta-turn via hydrophobic encapsulation. | Journal of the American Chemical Society 20060726 |
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