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

Systemtic Name: (2S,3S)-3-methyl-2-[2-(8-methyl-2-oxidanylidene-4-propyl-chromen-7-yl)oxypropanoylamino]pentanoic acid Openeye Name: (2S,3S)-3-methyl-2-[2-(8-methyl-2-oxo-4-propyl-chromen-7-yl)oxypropanoylamino]pentanoic acid CAS Name: (2S,3S)-3-methyl-2-[[2-[(8-methyl-2-oxo-4-propyl-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]pentanoic acid IUPAC Name: (2S,3S)-3-methyl-2-[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxypropanoylamino]pentanoic acid Traditional Name: (2S,3S)-2-[2-(2-keto-8-methyl-4-propyl-chromen-7-yl)oxypropanoylamino]-3-methyl-valeric acid Formula: C22H29NO6 MolecularWeight: 403.46876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO6/c1-6-8-15-11-18(24)29-20-13(4)17(10-9-16(15)20)28-14(5)21(25)23-19(22(26)27)12(3)7-2/h9-12,14,19H,6-8H2,1-5H3,(H,23,25)(H,26,27)/t12-,14?,19-/m0/s1