Temocaprilat

Molecular Formula: C₂₁H₂₄N₂O₅S₂

InChI: InChI=1/C21H24N2O5S2/c24-19(25)12-23-11-18(17-7-4-10-29-17)30-13-16(20(23)26)22-15(21(27)28)9-8-14-5-2-1-3-6-14/h1-7,10,15-16,18,22H,8-9,11-13H2,(H,24,25)(H,27,28)/t15-,16?,18-/m0/s1/f/h24,27H

InChIKey: InChIKey=KZVWEOXAPZXAFB-LWEAGZDHDW
SMILES: C1C(SCC(C(=O)N1CC(=O)O)NC(CCC2=CC=CC=C2)C(=O)O)C3=CC=CS3

Names:
    RNH 5139
    RS 5139
    RS-5139
    Temocaprilat
    (+)-(2S,6R)-6-(((1S)-1-carboxy-3-phenylpropyl)amino)tetrahydro-5-oxo-2-(2-thienyl)-1,4-thiazepine-4(5H)-acetic acid
    (2S)-2-[[(2S)-4-(carboxymethyl)-5-oxo-2-thiophen-2-yl-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoic acid
    1,4-Thiazepine-4(5H)-acetic acid, 6-((1-carboxy-3-phenylpropyl)amino)tetrahydro-5-oxo-2-(2-thienyl)-, (2S-(2alpha,6beta(R*)))-
    110221-53-9

Registries:
    PubChem CID 71324
    PubChem ID 213548