Registration Dossier

General information

Inventory

EC number:
265-250-7
EC name:
(S)-1-[3-(acetylthio)-2-methyl-1-oxopropyl]-L-proline
CAS number:
64838-55-7

No inventory information available

Reference substance information

IUPAC name:
(2S)-1-[3-(acetylsulfanyl)-2-methylpropanoyl]pyrrolidine-2-carboxylic acid
Synonyms
Names:
S-Acetyl captopril
Identifier:
CAS number
64838-55-7
Identifier:
IUPAC name
1-[(2S)-3-(acetylsulfanyl)-2-methylpropanoyl]-L-proline
Identifier:
IUPAC name
1-[3-(acetylsulfanyl)-2-methylpropanoyl]-L-proline
Identifier:
other: SMILES notation
CC(CSC(=O)C)C(=O)N1CCC[C@H]1C(=O)O
Identifier:
other: InChl
InChI=1S/C11H17NO4S/c1-7(6-17-8(2)13)10(14)12-5-3-4-9(12)11(15)16/h7,9H,3-6H2,1-2H3,(H,15,16)/t7-,9 /m1/s1 InChI=1S/C11H17NO4S/c1-7(6-17-8(2)13)10(14)12-5-3-4-9(12)11(15)16/h7,9H,3-6H2,1-2H3,(H,15,16)/t7-,9+/m1/s1
Identifier:
other: SMILES notation
O=C(O)[C@H]1N(C(=O)[C@H](C)CSC(=O)C)CCC1
(2S)-1-(3-Acetylthio-2-methyl-1-oxopropyl)-L-proline

CAS information

CAS number:
64838-55-7

Molecular and structural information

Molecular formula:
C11H17NO4S
Molecular weight:
ca. 259.32
SMILES notation:
CC(=O)SC[C@H](C)C(=O)N1CCCC[C@@H]1C(=O)O
InChl:
InChI=1/C11H17NO4S/c1-7(6-17-8(2)13)10(14)12-5-3-4-9(12)11(15)16/h7,9H,3-6H2,1-2H3,(H,15,16)
Structural formula:
Chemical structure