CAS Registry Number®
219909-83-8
CAS Name
Benzoic acid, 3-[[[(2S,4S)-4-mercapto-2-pyrrolidinyl]carbonyl]amino]-, hydrochloride (1:1)
Molecular Formula
C12H14N2O3S.ClH
Compound Properties
-
Melting Point (1)
212 °C
Source(s)
- (1) Brands, Karel M. J.; Journal of Organic Chemistry, (2002), 67(14), 4771-4776, CAplus
Other Names and Identifiers
InChI
InChI=1S/C12H14N2O3S.ClH/c15-11(10-5-9(18)6-13-10)14-8-3-1-2-7(4-8)12(16)17;/h1-4,9-10,13,18H,5-6H2,(H,14,15)(H,16,17);1H/t9-,10-;/m0./s1
InChIKey
InChIKey=DDRIIBZWSJDJQQ-IYPAPVHQSA-N
SMILES
C(NC1=CC(C(O)=O)=CC=C1)(=O)[C@@H]2C[C@H](S)CN2.Cl
Canonical SMILES
Cl.O=C(O)C=1C=CC=C(C1)NC(=O)C2NCC(S)C2
Other Names for this Substance
- Benzoic acid, 3-[[[(2S,4S)-4-mercapto-2-pyrrolidinyl]carbonyl]amino]-, hydrochloride (1:1)
- Benzoic acid, 3-[[[(2S,4S)-4-mercapto-2-pyrrolidinyl]carbonyl]amino]-, monohydrochloride
