(E)-5-methyl-3-[[3-methyl-1-oxidanylidene-1-(phenethylamino)butan-2-yl]carbamoyl]hex-3-enoic acid

Systemtic Name: (E)-5-methyl-3-[[3-methyl-1-oxidanylidene-1-(phenethylamino)butan-2-yl]carbamoyl]hex-3-enoic acid Openeye Name: (E)-5-methyl-3-[[2-methyl-1-(phenethylcarbamoyl)propyl]carbamoyl]hex-3-enoic acid CAS Name: (E)-5-methyl-3-[[[3-methyl-1-oxo-1-(phenethylamino)butan-2-yl]amino]-oxomethyl]-3-hexenoic acid IUPAC Name: (E)-5-methyl-3-[[3-methyl-1-oxo-1-(phenethylamino)butan-2-yl]carbamoyl]hex-3-enoic acid Traditional Name: (E)-5-methyl-3-[[2-methyl-1-(phenethylcarbamoyl)propyl]carbamoyl]hex-3-enoic acid Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C=C(CC(=O)O)C(=O)NC(C(C)C)C(=O)NCCC1=CC=CC=C1

Isomeric SMILES

CC(C)/C=C(\CC(=O)O)/C(=O)NC(C(C)C)C(=O)NCCC1=CC=CC=C1

InChI

InChI=1S/C21H30N2O4/c1-14(2)12-17(13-18(24)25)20(26)23-19(15(3)4)21(27)22-11-10-16-8-6-5-7-9-16/h5-9,12,14-15,19H,10-11,13H2,1-4H3,(H,22,27)(H,23,26)(H,24,25)/b17-12+