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

Systemtic Name: (2S)-2-[2-(3,4-dimethyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[2-(3,4-dimethyl-2-oxo-chromen-7-yl)oxypropanoylamino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[2-[(3,4-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[2-(3,4-dimethyl-2-oxochromen-7-yl)oxypropanoylamino]-4-methylpentanoic acid Traditional Name: (2S)-2-[2-(2-keto-3,4-dimethyl-chromen-7-yl)oxypropanoylamino]-4-methyl-valeric acid Formula: C20H25NO6 MolecularWeight: 375.4156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NC(CC(C)C)C(=O)O)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC(C)C(=O)N[C@@H](CC(C)C)C(=O)O)C

InChI

InChI=1S/C20H25NO6/c1-10(2)8-16(19(23)24)21-18(22)13(5)26-14-6-7-15-11(3)12(4)20(25)27-17(15)9-14/h6-7,9-10,13,16H,8H2,1-5H3,(H,21,22)(H,23,24)/t13?,16-/m0/s1