(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[(4-methylsulfinylphenyl)methoxy]-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[(4-methylsulfinylphenyl)methoxy]-4-oxidanylidene-butanoic acid Openeye Name: (2S)-2-(tert-butoxycarbonylamino)-4-[(4-methylsulfinylphenyl)methoxy]-4-oxo-butanoic acid CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-[(4-methylsulfinylphenyl)methoxy]-4-oxobutanoic acid IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[(4-methylsulfinylphenyl)methoxy]-4-oxobutanoic acid Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-4-keto-4-(4-methylsulfinylbenzyl)oxy-butyric acid Formula: C17H23NO7S MolecularWeight: 385.43202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)OCC1=CC=C(C=C1)S(=O)C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO7S/c1-17(2,3)25-16(22)18-13(15(20)21)9-14(19)24-10-11-5-7-12(8-6-11)26(4)23/h5-8,13H,9-10H2,1-4H3,(H,18,22)(H,20,21)/t13-,26?/m0/s1