2-[4-[(2S)-3-oxidanyl-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]naphthalen-1-yl]propanedioic acid

Systemtic Name: 2-[4-[(2S)-3-oxidanyl-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]naphthalen-1-yl]propanedioic acid Openeye Name: 2-[4-[(2S)-2-(benzyloxycarbonylamino)-3-hydroxy-3-oxo-propyl]-1-naphthyl]propanedioic acid CAS Name: 2-[4-[(2S)-3-hydroxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl]-1-naphthalenyl]propanedioic acid IUPAC Name: 2-[4-[(2S)-3-hydroxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl]naphthalen-1-yl]propanedioic acid Traditional Name: 2-[4-[(2S)-2-(benzyloxycarbonylamino)-3-hydroxy-3-keto-propyl]-1-naphthyl]malonic acid Formula: C24H21NO8 MolecularWeight: 451.42544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CC=C(C3=CC=CC=C23)C(C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CC=C(C3=CC=CC=C23)C(C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C24H21NO8/c26-21(27)19(25-24(32)33-13-14-6-2-1-3-7-14)12-15-10-11-18(20(22(28)29)23(30)31)17-9-5-4-8-16(15)17/h1-11,19-20H,12-13H2,(H,25,32)(H,26,27)(H,28,29)(H,30,31)/t19-/m0/s1