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

Systemtic Name: (2S,3S)-2-[2-(4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-3-methyl-pentanoic acid Openeye Name: (2S,3S)-2-[2-(4-butyl-8-methyl-2-oxo-chromen-7-yl)oxypropanoylamino]-3-methyl-pentanoic acid CAS Name: (2S,3S)-2-[[2-[(4-butyl-8-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3S)-2-[2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxypropanoylamino]-3-methylpentanoic acid Traditional Name: (2S,3S)-2-[2-(4-butyl-2-keto-8-methyl-chromen-7-yl)oxypropanoylamino]-3-methyl-valeric acid Formula: C23H31NO6 MolecularWeight: 417.49534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NC(C(C)CC)C(=O)O

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O

InChI

InChI=1S/C23H31NO6/c1-6-8-9-16-12-19(25)30-21-14(4)18(11-10-17(16)21)29-15(5)22(26)24-20(23(27)28)13(3)7-2/h10-13,15,20H,6-9H2,1-5H3,(H,24,26)(H,27,28)/t13-,15?,20-/m0/s1