(2S,3S)-3-methyl-2-[[3-(2-oxidanylidenechromen-3-yl)phenyl]carbonylamino]pentanoate

Systemtic Name: (2S,3S)-3-methyl-2-[[3-(2-oxidanylidenechromen-3-yl)phenyl]carbonylamino]pentanoate Openeye Name: (2S,3S)-3-methyl-2-[[3-(2-oxochromen-3-yl)benzoyl]amino]pentanoate CAS Name: (2S,3S)-3-methyl-2-[[oxo-[3-(2-oxo-1-benzopyran-3-yl)phenyl]methyl]amino]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-[[3-(2-oxochromen-3-yl)benzoyl]amino]pentanoate Traditional Name: (2S,3S)-2-[[3-(2-ketochromen-3-yl)benzoyl]amino]-3-methyl-valerate Formula: C22H20NO5- MolecularWeight: 378.3979

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)C1=CC=CC(=C1)C2=CC3=CC=CC=C3OC2=O

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)C1=CC=CC(=C1)C2=CC3=CC=CC=C3OC2=O

InChI

InChI=1S/C22H21NO5/c1-3-13(2)19(21(25)26)23-20(24)16-9-6-8-14(11-16)17-12-15-7-4-5-10-18(15)28-22(17)27/h4-13,19H,3H2,1-2H3,(H,23,24)(H,25,26)/p-1/t13-,19-/m0/s1