(2R,3S)-2-[3-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]-3-methyl-pentanoic acid

Systemtic Name: (2R,3S)-2-[3-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]-3-methyl-pentanoic acid Openeye Name: (2R,3S)-2-[3-(7-hydroxy-4,8-dimethyl-2-oxo-chromen-3-yl)propanoylamino]-3-methyl-pentanoic acid CAS Name: (2R,3S)-2-[[3-(7-hydroxy-4,8-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]-3-methylpentanoic acid IUPAC Name: (2R,3S)-2-[3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanoylamino]-3-methylpentanoic acid Traditional Name: (2R,3S)-2-[3-(7-hydroxy-2-keto-4,8-dimethyl-chromen-3-yl)propanoylamino]-3-methyl-valeric acid Formula: C20H25NO6 MolecularWeight: 375.4156

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CCC1=C(C2=C(C(=C(C=C2)O)C)OC1=O)C

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)O)NC(=O)CCC1=C(C2=C(C(=C(C=C2)O)C)OC1=O)C

InChI

InChI=1S/C20H25NO6/c1-5-10(2)17(19(24)25)21-16(23)9-7-14-11(3)13-6-8-15(22)12(4)18(13)27-20(14)26/h6,8,10,17,22H,5,7,9H2,1-4H3,(H,21,23)(H,24,25)/t10-,17+/m0/s1