(2S)-3-methyl-2-[2-(8-methyl-2-oxidanylidene-4-propyl-chromen-7-yl)oxypropanoylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[2-(8-methyl-2-oxidanylidene-4-propyl-chromen-7-yl)oxypropanoylamino]butanoic acid Openeye Name: (2S)-3-methyl-2-[2-(8-methyl-2-oxo-4-propyl-chromen-7-yl)oxypropanoylamino]butanoic acid CAS Name: (2S)-3-methyl-2-[[2-[(8-methyl-2-oxo-4-propyl-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxypropanoylamino]butanoic acid Traditional Name: (2S)-2-[2-(2-keto-8-methyl-4-propyl-chromen-7-yl)oxypropanoylamino]-3-methyl-butyric acid Formula: C21H27NO6 MolecularWeight: 389.44218

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)N[C@@H](C(C)C)C(=O)O

InChI

InChI=1S/C21H27NO6/c1-6-7-14-10-17(23)28-19-12(4)16(9-8-15(14)19)27-13(5)20(24)22-18(11(2)3)21(25)26/h8-11,13,18H,6-7H2,1-5H3,(H,22,24)(H,25,26)/t13?,18-/m0/s1