2-[(2S,4S)-2-formamido-4-sulfanyl-pyrrolidin-3-yl]benzoic acid hydrochloride

Systemtic Name: 2-[(2S,4S)-2-formamido-4-sulfanyl-pyrrolidin-3-yl]benzoic acid hydrochloride Openeye Name: 2-[(2S,4S)-2-formamido-4-sulfanyl-pyrrolidin-3-yl]benzoic acid hydrochloride CAS Name: 2-[(2S,4S)-2-formamido-4-mercapto-3-pyrrolidinyl]benzoic acid hydrochloride IUPAC Name: 2-[(2S,4S)-2-formamido-4-sulfanylpyrrolidin-3-yl]benzoic acid hydrochloride Traditional Name: 2-[(2S,4S)-2-formamido-4-mercapto-pyrrolidin-3-yl]benzoic acid hydrochloride Formula: C12H15ClN2O3S MolecularWeight: 302.7771

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(N1)NC=O)C2=CC=CC=C2C(=O)O)S.Cl

Isomeric SMILES

C1[C@H](C([C@@H](N1)NC=O)C2=CC=CC=C2C(=O)O)S.Cl

InChI

InChI=1S/C12H14N2O3S.ClH/c15-6-14-11-10(9(18)5-13-11)7-3-1-2-4-8(7)12(16)17;/h1-4,6,9-11,13,18H,5H2,(H,14,15)(H,16,17);1H/t9-,10?,11+;/m1./s1