Compound - Results

Ceruletide

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Information Structure
Name Ceruletide
Synonyms
5-Oxo-L-prolyl-L-glutaminyl-L-alpha-aspartyl-O-sulfo-L-tyrosyl-L-threonylglycyl-L-tryptophyl-L-methionyl-L-alpha-aspartyl-L-phenylalaninamide
5-Oxo-L-prolyl-L-glutaminyl-L-aspartyl-L-tyrosyl-L-threonylglycyl-L-tryptophyl-L-methionyl-L-aspartylphenyl-L-alaninamide 4-(hydrogen Sulfate) (ester)
Caerulein
CCRIS 3063
Ceruletida
Ceruletide
Ceruletidum
ATC V04CC04
CID 16129675
CAS 017650985
SMILES CSCC[C@H](NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC3=CC=C(OS(O)(=O)=O)C=C3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]4CCC(=O)N4)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC5=CC=CC=C5)C(N)=O
Formula C58H73N13O21S2
Molweight 1352.4
Atoms 94
LogP 1.813
Rotatable Bonds 47
H-Bond Donors 0
H-Bond Acceptors 34