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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClNO6/c1-3-12(16(22)23)19-15(21)5-4-9-8(2)10-6-11(18)13(20)7-14(10)25-17(9)24/h6-7,12,20H,3-5H2,1-2H3,(H,19,21)(H,22,23)/t12-/m1/s1