4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-3-oxidanylidene-propyl]benzoic acid

Systemtic Name: 4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-3-oxidanylidene-propyl]benzoic acid Openeye Name: 4-[(2S)-2-(tert-butoxycarbonylamino)-3-hydroxy-3-oxo-propyl]benzoic acid CAS Name: 4-[(2S)-3-hydroxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxopropyl]benzoic acid IUPAC Name: 4-[(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]benzoic acid Traditional Name: 4-[(2S)-2-(tert-butoxycarbonylamino)-3-hydroxy-3-keto-propyl]benzoic acid Formula: C15H19NO6 MolecularWeight: 309.31446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C15H19NO6/c1-15(2,3)22-14(21)16-11(13(19)20)8-9-4-6-10(7-5-9)12(17)18/h4-7,11H,8H2,1-3H3,(H,16,21)(H,17,18)(H,19,20)/t11-/m0/s1