3-[(2S,4S)-4-MERCAPTOPYRROLIDINE-2-CARBOXAMIDO]BENZOIC ACID HYDROCHLORIDE

CAS No.
219909-83-8
CCD No.
CCD00961780
Formula
C12 H14 N2 O3 S . Cl H
MolWeight
302.78

Basic Information

Product Name: 3-[(2S,4S)-4-MERCAPTOPYRROLIDINE-2-CARBOXAMIDO]BENZOIC ACID HYDROCHLORIDE
CAS: 219909-83-8
English Synonyms: 3-[[[(2S,4S)-4-MERCAPTO-2-PYRROLIDINYL]CARBONYL]AMINO]-BENZOIC ACID, MONOHYDROCHLORIDE ; 3-[[[(2S,4S)-4-MERCAPTO-2-PYRROLIDINYL]CARBONYL]AMINO]-BENZOIC ACID HYDROCHLORIDE ; 3-[(2S,4S)-4-MERCAPTOPYRROLIDINE-2-CARBOXAMIDO]BENZOIC ACID HYDROCHLORIDE ; (2S)-2-CIS-3-[[4-MERCAPTO-2-PYRROLIDINYL)CARBONYL]AMINO]BENZOIC ACID HYDROCHLORIDE ; THIAPROLINE-M-AMINO-BENZOIC ACID HYDROCHLORIDE
MDL Number.: MFCD10698849
H bond acceptor: 5
H bond donor: 3
Smile: c1cc(cc(c1)NC(=O)[C@@H]2C[C@@H](CN2)S)C(=O)O.Cl
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

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