(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(4-methylsulfinylphenyl)methoxy]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(4-methylsulfinylphenyl)methoxy]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-(tert-butoxycarbonylamino)-5-[(4-methylsulfinylphenyl)methoxy]-5-oxo-pentanoic acid CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-[(4-methylsulfinylphenyl)methoxy]-5-oxopentanoic acid IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(4-methylsulfinylphenyl)methoxy]-5-oxopentanoic acid Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-5-keto-5-(4-methylsulfinylbenzyl)oxy-valeric acid Formula: C18H25NO7S MolecularWeight: 399.4586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO7S/c1-18(2,3)26-17(23)19-14(16(21)22)9-10-15(20)25-11-12-5-7-13(8-6-12)27(4)24/h5-8,14H,9-11H2,1-4H3,(H,19,23)(H,21,22)/t14-,27?/m0/s1