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

Systemtic Name: (2S,3S)-2-[3-(6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]-3-methyl-pentanoic acid Openeye Name: (2S,3S)-2-[3-(6-chloro-7-hydroxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]-3-methyl-pentanoic acid CAS Name: (2S,3S)-2-[[3-(6-chloro-7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3S)-2-[3-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-3-methylpentanoic acid Traditional Name: (2S,3S)-2-[3-(6-chloro-7-hydroxy-2-keto-4-methyl-chromen-3-yl)propanoylamino]-3-methyl-valeric acid Formula: C19H22ClNO6 MolecularWeight: 395.83408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClNO6/c1-4-9(2)17(18(24)25)21-16(23)6-5-11-10(3)12-7-13(20)14(22)8-15(12)27-19(11)26/h7-9,17,22H,4-6H2,1-3H3,(H,21,23)(H,24,25)/t9-,17-/m0/s1