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

Systemtic Name: (2S,3R)-3-methyl-2-[2-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]pentanoate Openeye Name: (2S,3R)-2-[[2-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]-3-methyl-pentanoate CAS Name: (2S,3R)-2-[[2-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-3-methylpentanoate IUPAC Name: (2S,3R)-2-[[2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-methylpentanoate Traditional Name: (2S,3R)-2-[[2-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)acetyl]amino]-3-methyl-valerate Formula: C18H20NO6- MolecularWeight: 346.3545

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)CC1=C(C2=C(C=C(C=C2)O)OC1=O)C

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)[O-])NC(=O)CC1=C(C2=C(C=C(C=C2)O)OC1=O)C

InChI

InChI=1S/C18H21NO6/c1-4-9(2)16(17(22)23)19-15(21)8-13-10(3)12-6-5-11(20)7-14(12)25-18(13)24/h5-7,9,16,20H,4,8H2,1-3H3,(H,19,21)(H,22,23)/p-1/t9-,16+/m1/s1