(2S)-2-[2-[2-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]ethanoylamino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[2-[2-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]ethanoylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[[2-[[2-(7-hydroxy-4,8-dimethyl-2-oxo-chromen-3-yl)acetyl]amino]acetyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[2-[[2-(7-hydroxy-4,8-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-1-oxoethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[2-[[2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)acetyl]amino]acetyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-[[2-(7-hydroxy-2-keto-4,8-dimethyl-chromen-3-yl)acetyl]amino]acetyl]amino]-3-methyl-butyrate Formula: C20H23N2O7- MolecularWeight: 403.40582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CC(=O)NCC(=O)NC(C(C)C)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)[O-]

InChI

InChI=1S/C20H24N2O7/c1-9(2)17(19(26)27)22-16(25)8-21-15(24)7-13-10(3)12-5-6-14(23)11(4)18(12)29-20(13)28/h5-6,9,17,23H,7-8H2,1-4H3,(H,21,24)(H,22,25)(H,26,27)/p-1/t17-/m0/s1