(2S)-3-methyl-2-[2-[3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]ethanoylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[2-[3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]ethanoylamino]butanoic acid Openeye Name: (2S)-2-[[2-[3-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]acetyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[2-[[3-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[2-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]acetyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[2-[3-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)propanoylamino]acetyl]amino]-3-methyl-butyric acid Formula: C20H24N2O7 MolecularWeight: 404.41376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)NCC(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)O

InChI

InChI=1S/C20H24N2O7/c1-10(2)18(19(26)27)22-17(25)9-21-16(24)7-6-14-11(3)13-5-4-12(23)8-15(13)29-20(14)28/h4-5,8,10,18,23H,6-7,9H2,1-3H3,(H,21,24)(H,22,25)(H,26,27)/t18-/m0/s1