(2S)-3-methyl-2-[2-[3-(3,5,9-trimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]ethanoylamino]butanoate

Systemtic Name: (2S)-3-methyl-2-[2-[3-(3,5,9-trimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]ethanoylamino]butanoate Openeye Name: (2S)-3-methyl-2-[[2-[3-(3,5,9-trimethyl-7-oxo-furo[3,2-g]chromen-6-yl)propanoylamino]acetyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[1-oxo-2-[[1-oxo-3-(3,5,9-trimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)propyl]amino]ethyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[[2-[3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]acetyl]amino]butanoate Traditional Name: (2S)-2-[[2-[3-(7-keto-3,5,9-trimethyl-furo[3,2-g]chromen-6-yl)propanoylamino]acetyl]amino]-3-methyl-butyrate Formula: C24H27N2O7- MolecularWeight: 455.48038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=C(C3=C(C=C12)C(=C(C(=O)O3)CCC(=O)NCC(=O)NC(C(C)C)C(=O)[O-])C)C

Isomeric SMILES

CC1=COC2=C(C3=C(C=C12)C(=C(C(=O)O3)CCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)[O-])C)C

InChI

InChI=1S/C24H28N2O7/c1-11(2)20(23(29)30)26-19(28)9-25-18(27)7-6-15-13(4)17-8-16-12(3)10-32-21(16)14(5)22(17)33-24(15)31/h8,10-11,20H,6-7,9H2,1-5H3,(H,25,27)(H,26,28)(H,29,30)/p-1/t20-/m0/s1