(phenylmethyl) (3S)-3-(1H-indol-3-ylmethylamino)-3-(5-phenyl-1H-imidazol-2-yl)propanoate

Systemtic Name: (phenylmethyl) (3S)-3-(1H-indol-3-ylmethylamino)-3-(5-phenyl-1H-imidazol-2-yl)propanoate Openeye Name: benzyl (3S)-3-(1H-indol-3-ylmethylamino)-3-(5-phenyl-1H-imidazol-2-yl)propanoate CAS Name: (3S)-3-(1H-indol-3-ylmethylamino)-3-(5-phenyl-1H-imidazol-2-yl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-3-(1H-indol-3-ylmethylamino)-3-(5-phenyl-1H-imidazol-2-yl)propanoate Traditional Name: (3S)-3-(1H-indol-3-ylmethylamino)-3-(5-phenyl-1H-imidazol-2-yl)propionic acid benzyl ester Formula: C28H26N4O2 MolecularWeight: 450.53164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CC(C2=NC=C(N2)C3=CC=CC=C3)NCC4=CNC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C[C@@H](C2=NC=C(N2)C3=CC=CC=C3)NCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C28H26N4O2/c33-27(34-19-20-9-3-1-4-10-20)15-25(28-31-18-26(32-28)21-11-5-2-6-12-21)30-17-22-16-29-24-14-8-7-13-23(22)24/h1-14,16,18,25,29-30H,15,17,19H2,(H,31,32)/t25-/m0/s1