(2S)-2-[2-[2-(5-methoxy-4,7-dimethyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]ethanoylamino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[2-[2-(5-methoxy-4,7-dimethyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]ethanoylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[[2-[[2-(5-methoxy-4,7-dimethyl-2-oxo-chromen-3-yl)acetyl]amino]acetyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[2-[[2-(5-methoxy-4,7-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-1-oxoethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[2-[[2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)acetyl]amino]acetyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-[[2-(2-keto-5-methoxy-4,7-dimethyl-chromen-3-yl)acetyl]amino]acetyl]amino]-3-methyl-butyrate Formula: C21H25N2O7- MolecularWeight: 417.4324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)NCC(=O)NC(C(C)C)C(=O)[O-])C)C(=C1)OC

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)[O-])C)C(=C1)OC

InChI

InChI=1S/C21H26N2O7/c1-10(2)19(20(26)27)23-17(25)9-22-16(24)8-13-12(4)18-14(29-5)6-11(3)7-15(18)30-21(13)28/h6-7,10,19H,8-9H2,1-5H3,(H,22,24)(H,23,25)(H,26,27)/p-1/t19-/m0/s1