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

Systemtic Name: (2R)-2-[3-(6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]pentanoic acid Openeye Name: (2R)-2-[3-(6-chloro-7-hydroxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]pentanoic acid CAS Name: (2R)-2-[[3-(6-chloro-7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]pentanoic acid IUPAC Name: (2R)-2-[3-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]pentanoic acid Traditional Name: (2R)-2-[3-(6-chloro-7-hydroxy-2-keto-4-methyl-chromen-3-yl)propanoylamino]valeric acid Formula: C18H20ClNO6 MolecularWeight: 381.8075

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)NC(=O)CCC1=C(C2=CC(=C(C=C2OC1=O)O)Cl)C

Isomeric SMILES

CCC[C@H](C(=O)O)NC(=O)CCC1=C(C2=CC(=C(C=C2OC1=O)O)Cl)C

InChI

InChI=1S/C18H20ClNO6/c1-3-4-13(17(23)24)20-16(22)6-5-10-9(2)11-7-12(19)14(21)8-15(11)26-18(10)25/h7-8,13,21H,3-6H2,1-2H3,(H,20,22)(H,23,24)/t13-/m1/s1