N-[1-azanyl-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-4-(4-azanylpiperidin-1-yl)-4-oxidanylidene-2-(phenylmethyl)butanamide

Systemtic Name: N-[1-azanyl-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-4-(4-azanylpiperidin-1-yl)-4-oxidanylidene-2-(phenylmethyl)butanamide Openeye Name: N-[2-amino-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]-4-(4-amino-1-piperidyl)-2-benzyl-4-oxo-butanamide CAS Name: N-[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-(4-amino-1-piperidinyl)-4-oxo-2-(phenylmethyl)butanamide IUPAC Name: N-[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-(4-aminopiperidin-1-yl)-2-benzyl-4-oxobutanamide Traditional Name: N-[2-amino-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]-4-(4-aminopiperidino)-2-benzyl-4-keto-butyramide Formula: C22H30N6O3 MolecularWeight: 426.512

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N)C(=O)CC(CC2=CC=CC=C2)C(=O)NC(CC3=CN=CN3)C(=O)N

Isomeric SMILES

C1CN(CCC1N)C(=O)CC(CC2=CC=CC=C2)C(=O)NC(CC3=CN=CN3)C(=O)N

InChI

InChI=1S/C22H30N6O3/c23-17-6-8-28(9-7-17)20(29)11-16(10-15-4-2-1-3-5-15)22(31)27-19(21(24)30)12-18-13-25-14-26-18/h1-5,13-14,16-17,19H,6-12,23H2,(H2,24,30)(H,25,26)(H,27,31)