2-[4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoyl]oxymethyl]phenyl]ethanoate

Systemtic Name: 2-[4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoyl]oxymethyl]phenyl]ethanoate Openeye Name: 2-[4-[[(2S)-2-(tert-butoxycarbonylamino)-4-methylsulfanyl-butanoyl]oxymethyl]phenyl]acetate CAS Name: 2-[4-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)-1-oxobutoxy]methyl]phenyl]acetate IUPAC Name: 2-[4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]oxymethyl]phenyl]acetate Traditional Name: 2-[4-[[(2S)-2-(tert-butoxycarbonylamino)-4-(methylthio)butanoyl]oxymethyl]phenyl]acetate Formula: C19H26NO6S- MolecularWeight: 396.47784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCSC)C(=O)OCC1=CC=C(C=C1)CC(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCSC)C(=O)OCC1=CC=C(C=C1)CC(=O)[O-]

InChI

InChI=1S/C19H27NO6S/c1-19(2,3)26-18(24)20-15(9-10-27-4)17(23)25-12-14-7-5-13(6-8-14)11-16(21)22/h5-8,15H,9-12H2,1-4H3,(H,20,24)(H,21,22)/p-1/t15-/m0/s1