(2S)-2-[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxidanylidene-chromen-7-yl]oxyethanoylamino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxidanylidene-chromen-7-yl]oxyethanoylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-chromen-7-yl]oxyacetyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[2-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-1-benzopyran-7-yl]oxy]-1-oxoethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxyacetyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-2-methyl-chromen-7-yl]oxyacetyl]amino]-3-methyl-butyrate Formula: C26H26NO8- MolecularWeight: 480.48654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(=O)NC(C(C)C)C(=O)[O-])C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(=O)N[C@@H](C(C)C)C(=O)[O-])C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C26H27NO8/c1-14(2)24(26(30)31)27-22(28)13-34-17-6-7-18-20(12-17)35-15(3)23(25(18)29)16-5-8-19-21(11-16)33-10-4-9-32-19/h5-8,11-12,14,24H,4,9-10,13H2,1-3H3,(H,27,28)(H,30,31)/p-1/t24-/m0/s1