(2R)-2-[3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]-3-phenyl-propanoic acid

Systemtic Name: (2R)-2-[3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[3-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[3-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[3-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)propanoylamino]-3-phenyl-propionic acid Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)N[C@H](CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H21NO6/c1-13-16-8-7-15(24)12-19(16)29-22(28)17(13)9-10-20(25)23-18(21(26)27)11-14-5-3-2-4-6-14/h2-8,12,18,24H,9-11H2,1H3,(H,23,25)(H,26,27)/t18-/m1/s1