(phenylmethyl) N-[(2S)-1-(benzimidazol-1-ylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-(benzimidazol-1-ylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-2-(benzimidazol-1-ylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-(1-benzimidazolylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-(benzimidazol-1-ylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-(benzimidazol-1-ylamino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamic acid benzyl ester Formula: C26H23N5O3 MolecularWeight: 453.49252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NN4C=NC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NN4C=NC5=CC=CC=C54

InChI

InChI=1S/C26H23N5O3/c32-25(30-31-17-28-22-12-6-7-13-24(22)31)23(14-19-15-27-21-11-5-4-10-20(19)21)29-26(33)34-16-18-8-2-1-3-9-18/h1-13,15,17,23,27H,14,16H2,(H,29,33)(H,30,32)/t23-/m0/s1