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

Systemtic Name: (2R)-2-[2-(6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]butanoic acid Openeye Name: (2R)-2-[[2-(6-chloro-7-hydroxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]butanoic acid CAS Name: (2R)-2-[[2-(6-chloro-7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]butanoic acid IUPAC Name: (2R)-2-[[2-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]butanoic acid Traditional Name: (2R)-2-[[2-(6-chloro-7-hydroxy-2-keto-4-methyl-chromen-3-yl)acetyl]amino]butyric acid Formula: C16H16ClNO6 MolecularWeight: 353.75434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClNO6/c1-3-11(15(21)22)18-14(20)5-9-7(2)8-4-10(17)12(19)6-13(8)24-16(9)23/h4,6,11,19H,3,5H2,1-2H3,(H,18,20)(H,21,22)/t11-/m1/s1