(2S)-2-[[(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[[(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[(3S)-2-tert-butoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[(3S)-2-[(2-methylpropan-2-yl)oxy-oxomethyl]-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(3S)-2-tert-butoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-4-(methylthio)butyrate Formula: C20H27N2O5S- MolecularWeight: 407.50378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C20H28N2O5S/c1-20(2,3)27-19(26)22-12-14-8-6-5-7-13(14)11-16(22)17(23)21-15(18(24)25)9-10-28-4/h5-8,15-16H,9-12H2,1-4H3,(H,21,23)(H,24,25)/p-1/t15-,16-/m0/s1