[(2S)-3-SELANYL-2-({[(2S)-3-SELANYL-2-[(?-GLUTAMYLSERYLCYSTEINYL)AMINO]PROPANOYL]LEUCYLISOLEUCYLASPARAGYLSERYL-?-GLUTAMYLSERYLGLUTAMYL}AMINO)PROPANOYL]ISOLEUCYLHISTIDYLTYROSYL-?-ASPARTYLARGINYLALANYLTHREONYLGLUTAMIC ACID | CAS 66778-17-4

Catalog Id:
MM66778174

IUPAC:
ESCULINSESQUIHYDRATE

CAS Number:
66778-17-4

Molecular Weight:
2395.33

Formula:
C92H145N27O36SSe2

SMILES:
[H]N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](C[SeH])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C[SeH])C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(O)=O

Preferred IUPAC Name:
[(2S)-3-SELANYL-2-({[(2S)-3-SELANYL-2-[(?-GLUTAMYLSERYLCYSTEINYL)AMINO]PROPANOYL]LEUCYLISOLEUCYLASPARAGYLSERYL-?-GLUTAMYLSERYLGLUTAMYL}AMINO)PROPANOYL]ISOLEUCYLHISTIDYLTYROSYL-?-ASPARTYLARGINYLALANYLTHREONYLGLUTAMIC ACID

InChIKey:
InChIKey=XNBYCYVXYGNAAL-TXRONCEQNA-N

Categories:
Aliphatic Heterocycles, Aromatic Heterocycles, Heterocyclic Compounds, Alcohols, Primary Alcohols, Secondary Alcohols, Amines, Aliphatic Amines, Aromatic Cyclic Structures, Carboxylic Acids, Aliphatic Carboxylic Acids, Phenols, Amides, Thioles, Primary Amines, Aliphatic Primary Amines, Imidazoles, Amino Acids, Amidines