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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClNO6/c1-4-8(2)16(17(23)24)20-15(22)6-11-9(3)10-5-12(19)13(21)7-14(10)26-18(11)25/h5,7-8,16,21H,4,6H2,1-3H3,(H,20,22)(H,23,24)/t8-,16+/m0/s1