(2S)-4-methyl-2-[3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]pentanoic acid

Systemtic Name: (2S)-4-methyl-2-[3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]pentanoic acid Openeye Name: (2S)-2-[3-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[3-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-4-methylpentanoic acid Traditional Name: (2S)-2-[3-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)propanoylamino]-4-methyl-valeric acid Formula: C19H23NO6 MolecularWeight: 361.38902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO6/c1-10(2)8-15(18(23)24)20-17(22)7-6-14-11(3)13-5-4-12(21)9-16(13)26-19(14)25/h4-5,9-10,15,21H,6-8H2,1-3H3,(H,20,22)(H,23,24)/t15-/m0/s1