(2S)-2-[2-(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)ethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[2-(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)ethanoylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[2-(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)acetyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[2-(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[2-(7-hydroxy-8-methyl-2-oxochromen-4-yl)acetyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[2-(7-hydroxy-2-keto-8-methyl-chromen-4-yl)acetyl]amino]-3-phenyl-propionic acid Formula: C21H19NO6 MolecularWeight: 381.37866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CC(=O)NC(CC3=CC=CC=C3)C(=O)O)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)O

InChI

InChI=1S/C21H19NO6/c1-12-17(23)8-7-15-14(11-19(25)28-20(12)15)10-18(24)22-16(21(26)27)9-13-5-3-2-4-6-13/h2-8,11,16,23H,9-10H2,1H3,(H,22,24)(H,26,27)/t16-/m0/s1