N-[(2S)-1-[(hydroxymethylamino)-phenyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-2-methyl-3-oxidanyl-benzamide

Systemtic Name: N-[(2S)-1-[(hydroxymethylamino)-phenyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-2-methyl-3-oxidanyl-benzamide Openeye Name: 3-hydroxy-N-[(1S)-1-[(hydroxymethylamino)-phenyl-carbamoyl]-3-methyl-butyl]-2-methyl-benzamide CAS Name: 3-hydroxy-N-[(2S)-1-(N-(hydroxymethylamino)anilino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide IUPAC Name: 3-hydroxy-N-[(2S)-1-(N-(hydroxymethylamino)anilino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide Traditional Name: 3-hydroxy-2-methyl-N-[(1S)-3-methyl-1-[(methylolamino)-phenyl-carbamoyl]butyl]benzamide Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1O)C(=O)NC(CC(C)C)C(=O)N(C2=CC=CC=C2)NCO

Isomeric SMILES

CC1=C(C=CC=C1O)C(=O)N[C@@H](CC(C)C)C(=O)N(C2=CC=CC=C2)NCO

InChI

InChI=1S/C21H27N3O4/c1-14(2)12-18(23-20(27)17-10-7-11-19(26)15(17)3)21(28)24(22-13-25)16-8-5-4-6-9-16/h4-11,14,18,22,25-26H,12-13H2,1-3H3,(H,23,27)/t18-/m0/s1