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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NC(C(C)CC)C(=O)O

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O

InChI

InChI=1S/C21H27NO6/c1-6-11(3)18(21(25)26)22-20(24)13(5)27-16-9-8-15-14(7-2)10-17(23)28-19(15)12(16)4/h8-11,13,18H,6-7H2,1-5H3,(H,22,24)(H,25,26)/t11-,13?,18-/m0/s1