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

Systemtic Name: (2S)-3-methyl-2-[2-[2-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]ethanoylamino]butanoate Openeye Name: (2S)-2-[[2-[[2-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]acetyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[2-[[2-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-1-oxoethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[2-[[2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]acetyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-[[2-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)acetyl]amino]acetyl]amino]-3-methyl-butyrate Formula: C19H21N2O7- MolecularWeight: 389.37924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O7/c1-9(2)17(18(25)26)21-16(24)8-20-15(23)7-13-10(3)12-5-4-11(22)6-14(12)28-19(13)27/h4-6,9,17,22H,7-8H2,1-3H3,(H,20,23)(H,21,24)(H,25,26)/p-1/t17-/m0/s1