(2S)-4-methyl-2-[2-(3,4,8-trimethyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]pentanoic acid

Systemtic Name: (2S)-4-methyl-2-[2-(3,4,8-trimethyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]pentanoic acid Openeye Name: (2S)-4-methyl-2-[2-(3,4,8-trimethyl-2-oxo-chromen-7-yl)oxypropanoylamino]pentanoic acid CAS Name: (2S)-4-methyl-2-[[1-oxo-2-[(3,4,8-trimethyl-2-oxo-1-benzopyran-7-yl)oxy]propyl]amino]pentanoic acid IUPAC Name: (2S)-4-methyl-2-[2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxypropanoylamino]pentanoic acid Traditional Name: (2S)-2-[2-(2-keto-3,4,8-trimethyl-chromen-7-yl)oxypropanoylamino]-4-methyl-valeric acid Formula: C21H27NO6 MolecularWeight: 389.44218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NC(CC(C)C)C(=O)O)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)N[C@@H](CC(C)C)C(=O)O)C

InChI

InChI=1S/C21H27NO6/c1-10(2)9-16(20(24)25)22-19(23)14(6)27-17-8-7-15-11(3)12(4)21(26)28-18(15)13(17)5/h7-8,10,14,16H,9H2,1-6H3,(H,22,23)(H,24,25)/t14?,16-/m0/s1