(2R)-2-[2-(6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]pentanoic acid

Systemtic Name: (2R)-2-[2-(6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]pentanoic acid Openeye Name: (2R)-2-[[2-(6-chloro-7-hydroxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]pentanoic acid CAS Name: (2R)-2-[[2-(6-chloro-7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]pentanoic acid IUPAC Name: (2R)-2-[[2-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]pentanoic acid Traditional Name: (2R)-2-[[2-(6-chloro-7-hydroxy-2-keto-4-methyl-chromen-3-yl)acetyl]amino]valeric acid Formula: C17H18ClNO6 MolecularWeight: 367.78092

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)NC(=O)CC1=C(C2=CC(=C(C=C2OC1=O)O)Cl)C

Isomeric SMILES

CCC[C@H](C(=O)O)NC(=O)CC1=C(C2=CC(=C(C=C2OC1=O)O)Cl)C

InChI

InChI=1S/C17H18ClNO6/c1-3-4-12(16(22)23)19-15(21)6-10-8(2)9-5-11(18)13(20)7-14(9)25-17(10)24/h5,7,12,20H,3-4,6H2,1-2H3,(H,19,21)(H,22,23)/t12-/m1/s1