3-[[4-azanyl-3-(4-methoxyphenyl)-1-oxidanyl-4-oxidanylidene-butan-2-yl]carbamoyl]-6-methoxy-5,5-dimethyl-hexanoic acid

Systemtic Name: 3-[[4-azanyl-3-(4-methoxyphenyl)-1-oxidanyl-4-oxidanylidene-butan-2-yl]carbamoyl]-6-methoxy-5,5-dimethyl-hexanoic acid Openeye Name: 3-[[3-amino-1-(hydroxymethyl)-2-(4-methoxyphenyl)-3-oxo-propyl]carbamoyl]-6-methoxy-5,5-dimethyl-hexanoic acid CAS Name: 3-[[[4-amino-1-hydroxy-3-(4-methoxyphenyl)-4-oxobutan-2-yl]amino]-oxomethyl]-6-methoxy-5,5-dimethylhexanoic acid IUPAC Name: 3-[[4-amino-1-hydroxy-3-(4-methoxyphenyl)-4-oxobutan-2-yl]carbamoyl]-6-methoxy-5,5-dimethylhexanoic acid Traditional Name: 3-[[3-amino-3-keto-2-(4-methoxyphenyl)-1-methylol-propyl]carbamoyl]-6-methoxy-5,5-dimethyl-hexanoic acid Formula: C21H32N2O7 MolecularWeight: 424.48798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(CC(=O)O)C(=O)NC(CO)C(C1=CC=C(C=C1)OC)C(=O)N)COC

Isomeric SMILES

CC(C)(CC(CC(=O)O)C(=O)NC(CO)C(C1=CC=C(C=C1)OC)C(=O)N)COC

InChI

InChI=1S/C21H32N2O7/c1-21(2,12-29-3)10-14(9-17(25)26)20(28)23-16(11-24)18(19(22)27)13-5-7-15(30-4)8-6-13/h5-8,14,16,18,24H,9-12H2,1-4H3,(H2,22,27)(H,23,28)(H,25,26)