N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-2-(1H-indol-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-2-(1H-indol-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-2-(1H-indol-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-(1H-indol-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-(1H-indol-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[(1S)-2-amino-1-benzyl-2-keto-ethyl]-2-(1H-indol-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C28H28N4O2 MolecularWeight: 452.54752

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)CC3=CNC4=CC=CC=C43)C(=O)NC(CC5=CC=CC=C5)C(=O)N

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C28H28N4O2/c29-27(33)25(14-19-8-2-1-3-9-19)31-28(34)26-15-20-10-4-5-11-21(20)17-32(26)18-22-16-30-24-13-7-6-12-23(22)24/h1-13,16,25-26,30H,14-15,17-18H2,(H2,29,33)(H,31,34)/t25-,26?/m0/s1