Ac-IETD-CHO

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 18
Total Number of Articles : 19
PubChem 23645145
Molecular Formula

C21H34N4O10

SMILES

CCC(C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CC(=O)O)C=O)NC(=O)C

InChI

InChI=1S/C21H34N4O10/c1-5-10(2)17(22-12(4)28)20(34)24-14(6-7-15(29)30)19(33)25-18(11(3)27)21(35)23-13(9-26)8-16(31)32/h9-11,13-14,17-18,27H,5-8H2,1-4H3,(H,22,28)(H,23,35)(H,24,34)(H,25,33)(H,29,30)(H,31,32)/t10?,11?,13-,14-,17-,18-/m0/s1

synonyms
  • Ac-IETD-CHO
  • BDBM10357
  • (4S)-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}-2-hydroxypropyl]carbamoyl}-4-[(2S)-2-acetamido-3-methylpentanamido]butanoic acid
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Properties
Property Value
MW 502.5 g/mol
HBD 7
HBA 10
Rotatable Bond Count 16
Exact Mass 502.22749329 g/mol
Monoisotopic Mass 502.22749329 g/mol
Heavy Atom Count 35
Isotope Atom Count 0
Atom Stereo Count 6
Covalent Unit Count 1
Complexity 803
xlogp -2
Topological Polar Surface Area 228