(3S)-5-[3-(1H-imidazol-2-yl)naphthalen-2-yl]oxy-4-oxidanylidene-3-(prop-2-enoxycarbonylamino)pentanoic acid

Systemtic Name: (3S)-5-[3-(1H-imidazol-2-yl)naphthalen-2-yl]oxy-4-oxidanylidene-3-(prop-2-enoxycarbonylamino)pentanoic acid Openeye Name: (3S)-3-(allyloxycarbonylamino)-5-[[3-(1H-imidazol-2-yl)-2-naphthyl]oxy]-4-oxo-pentanoic acid CAS Name: (3S)-5-[[3-(1H-imidazol-2-yl)-2-naphthalenyl]oxy]-4-oxo-3-[[oxo(prop-2-enoxy)methyl]amino]pentanoic acid IUPAC Name: (3S)-5-[3-(1H-imidazol-2-yl)naphthalen-2-yl]oxy-4-oxo-3-(prop-2-enoxycarbonylamino)pentanoic acid Traditional Name: (3S)-3-(allyloxycarbonylamino)-5-[3-(1H-imidazol-2-yl)-2-naphthoxy]-4-keto-valeric acid Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)NC(CC(=O)O)C(=O)COC1=CC2=CC=CC=C2C=C1C3=NC=CN3

Isomeric SMILES

C=CCOC(=O)N[C@@H](CC(=O)O)C(=O)COC1=CC2=CC=CC=C2C=C1C3=NC=CN3

InChI

InChI=1S/C22H21N3O6/c1-2-9-30-22(29)25-17(12-20(27)28)18(26)13-31-19-11-15-6-4-3-5-14(15)10-16(19)21-23-7-8-24-21/h2-8,10-11,17H,1,9,12-13H2,(H,23,24)(H,25,29)(H,27,28)/t17-/m0/s1