Tripeptide S

3-[[2-[2-[2-[(2-amino-3-hydroxybutanoyl)amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium

Also Known As: Tripeptide S|(3-(((2'-(2-((2-Amino-3-hydroxy-1-oxobutyl)amino)ethyl)(2,4'-bithiazol)-4-yl)carbonyl)amino)propyl)dimethylsulfonium|Sulfonium, (3-(((2'-(2-((2-amino-3-hydroxy-1-oxobutyl)amino)ethyl)(2,4'-bithiazol)-4-yl)carbonyl)amino)propyl)dimethyl-|(3-{[(2'-{2-[(2-Amino-1,3-dihydroxybutylidene)amino]ethyl}[2,4'-bi-1,3-thiazol]-4-yl)(hydroxy)methylidene]amino}propyl)(dimethyl)sulfanium|(3-{[(2'-{2-[(2-Amino-1,3-dihydroxybutylidene)amino]ethyl}[2,4'-bi-1,3-thiazol]-4-yl)(hydroxy)methylidene]amino}propyl)di(methyl)sulfanium|3-[[2-[2-[2-[(2-amino-3-hydroxybutanoyl)amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium

Molecular Formula	C18H28N5O3S3+
Molecular Weight	458.13544 g/mol
LogP	0.8
Topological Polar Surface Area	188.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	8
Rotatable Bonds	11
Exact Mass	458.13544
Monoisotopic Mass	458.13544
Heavy Atoms	29
Complexity	543.0

Chemical Identifiers

CAS Number	63147-24-0
SMILES	CC(C(C(=O)NCCC1=NC(=CS1)C2=NC(=CS2)C(=O)NCCC[S+](C)C)N)O
InChIKey	QIULHWFQDVHRAJ-UHFFFAOYSA-O