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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NC(C(C)CC)C(=O)O

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O

InChI

InChI=1S/C21H27NO6/c1-5-7-14-10-18(23)28-17-11-15(8-9-16(14)17)27-13(4)20(24)22-19(21(25)26)12(3)6-2/h8-13,19H,5-7H2,1-4H3,(H,22,24)(H,25,26)/t12-,13?,19-/m0/s1