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

Systemtic Name: (2S)-3-methyl-2-[2-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]butanoate Openeye Name: (2S)-2-[[2-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[2-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)acetyl]amino]-3-methyl-butyrate Formula: C17H18NO6- MolecularWeight: 332.32792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)NC(C(C)C)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO6/c1-8(2)15(16(21)22)18-14(20)7-12-9(3)11-5-4-10(19)6-13(11)24-17(12)23/h4-6,8,15,19H,7H2,1-3H3,(H,18,20)(H,21,22)/p-1/t15-/m0/s1