N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-4-[[(4-imidazol-1-ylphenyl)methylamino]methyl]benzamide

Systemtic Name: N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-4-[[(4-imidazol-1-ylphenyl)methylamino]methyl]benzamide Openeye Name: N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-4-[[(4-imidazol-1-ylphenyl)methylamino]methyl]benzamide CAS Name: N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[[[4-(1-imidazolyl)phenyl]methylamino]methyl]benzamide IUPAC Name: N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[[(4-imidazol-1-ylphenyl)methylamino]methyl]benzamide Traditional Name: N-[(1S)-2-amino-1-benzyl-2-keto-ethyl]-4-[[(4-imidazol-1-ylbenzyl)amino]methyl]benzamide Formula: C27H27N5O2 MolecularWeight: 453.53558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)N)NC(=O)C2=CC=C(C=C2)CNCC3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N)NC(=O)C2=CC=C(C=C2)CNCC3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C27H27N5O2/c28-26(33)25(16-20-4-2-1-3-5-20)31-27(34)23-10-6-21(7-11-23)17-30-18-22-8-12-24(13-9-22)32-15-14-29-19-32/h1-15,19,25,30H,16-18H2,(H2,28,33)(H,31,34)/t25-/m0/s1