(2S,3R)-3-methyl-2-[2-(4-methyl-2-oxidanylidene-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)ethanoylamino]pentanoate

Systemtic Name: (2S,3R)-3-methyl-2-[2-(4-methyl-2-oxidanylidene-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)ethanoylamino]pentanoate Openeye Name: (2S,3R)-3-methyl-2-[[2-(4-methyl-2-oxo-6,7,8,9-tetrahydrobenzofuro[3,2-g]chromen-3-yl)acetyl]amino]pentanoate CAS Name: (2S,3R)-3-methyl-2-[[2-(4-methyl-2-oxo-6,7,8,9-tetrahydrobenzofuro[3,2-g][1]benzopyran-3-yl)-1-oxoethyl]amino]pentanoate IUPAC Name: (2S,3R)-3-methyl-2-[[2-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]pentanoate Traditional Name: (2S,3R)-2-[[2-(2-keto-4-methyl-6,7,8,9-tetrahydrobenzofuro[3,2-g]chromen-3-yl)acetyl]amino]-3-methyl-valerate Formula: C24H26NO6- MolecularWeight: 424.46634

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)CC1=C(C2=C(C=C3C(=C2)C4=C(O3)CCCC4)OC1=O)C

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)[O-])NC(=O)CC1=C(C2=C(C=C3C(=C2)C4=C(O3)CCCC4)OC1=O)C

InChI

InChI=1S/C24H27NO6/c1-4-12(2)22(23(27)28)25-21(26)10-16-13(3)15-9-17-14-7-5-6-8-18(14)30-20(17)11-19(15)31-24(16)29/h9,11-12,22H,4-8,10H2,1-3H3,(H,25,26)(H,27,28)/p-1/t12-,22+/m1/s1