4-methyl-2-[[3-methyl-2-(2-oxidanylbut-3-enylamino)butanoyl]amino]-N-phenyl-pentanamide

Systemtic Name: 4-methyl-2-[[3-methyl-2-(2-oxidanylbut-3-enylamino)butanoyl]amino]-N-phenyl-pentanamide Openeye Name: 2-[[2-(2-hydroxybut-3-enylamino)-3-methyl-butanoyl]amino]-4-methyl-N-phenyl-pentanamide CAS Name: 2-[[2-(2-hydroxybut-3-enylamino)-3-methyl-1-oxobutyl]amino]-4-methyl-N-phenylpentanamide IUPAC Name: 2-[[2-(2-hydroxybut-3-enylamino)-3-methylbutanoyl]amino]-4-methyl-N-phenylpentanamide Traditional Name: 2-[[2-(2-hydroxybut-3-enylamino)-3-methyl-butanoyl]amino]-4-methyl-N-phenyl-valeramide Formula: C21H33N3O3 MolecularWeight: 375.50502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=CC=CC=C1)NC(=O)C(C(C)C)NCC(C=C)O

Isomeric SMILES

CC(C)CC(C(=O)NC1=CC=CC=C1)NC(=O)C(C(C)C)NCC(C=C)O

InChI

InChI=1S/C21H33N3O3/c1-6-17(25)13-22-19(15(4)5)21(27)24-18(12-14(2)3)20(26)23-16-10-8-7-9-11-16/h6-11,14-15,17-19,22,25H,1,12-13H2,2-5H3,(H,23,26)(H,24,27)