3-azanyl-N-[1-[[1-(1H-imidazol-5-yl)-3-oxidanylidene-propan-2-yl]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-3-methyl-butanamide

Systemtic Name: 3-azanyl-N-[1-[[1-(1H-imidazol-5-yl)-3-oxidanylidene-propan-2-yl]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-3-methyl-butanamide Openeye Name: 3-amino-N-[1-benzyl-2-[[1-formyl-2-(1H-imidazol-5-yl)ethyl]-methyl-amino]-2-oxo-ethyl]-3-methyl-butanamide CAS Name: 3-amino-N-[1-[[1-(1H-imidazol-5-yl)-3-oxopropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-3-methylbutanamide IUPAC Name: 3-amino-N-[1-[[1-(1H-imidazol-5-yl)-3-oxopropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-3-methylbutanamide Traditional Name: 3-amino-N-[1-benzyl-2-[[1-formyl-2-(1H-imidazol-5-yl)ethyl]-methyl-amino]-2-keto-ethyl]-3-methyl-butyramide Formula: C21H29N5O3 MolecularWeight: 399.48666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)NC(CC1=CC=CC=C1)C(=O)N(C)C(CC2=CN=CN2)C=O)N

Isomeric SMILES

CC(C)(CC(=O)NC(CC1=CC=CC=C1)C(=O)N(C)C(CC2=CN=CN2)C=O)N

InChI

InChI=1S/C21H29N5O3/c1-21(2,22)11-19(28)25-18(9-15-7-5-4-6-8-15)20(29)26(3)17(13-27)10-16-12-23-14-24-16/h4-8,12-14,17-18H,9-11,22H2,1-3H3,(H,23,24)(H,25,28)