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

Systemtic Name: (phenylmethyl) N-[(2S)-3-(1H-indol-3-yl)-1-(naphthalen-1-ylamino)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-(1H-indol-3-ylmethyl)-2-(1-naphthylamino)-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-3-(1H-indol-3-yl)-1-(1-naphthalenylamino)-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-3-(1H-indol-3-yl)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-(1-naphthylamino)ethyl]carbamic acid benzyl ester Formula: C29H25N3O3 MolecularWeight: 463.5271

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C29H25N3O3/c33-28(31-26-16-8-12-21-11-4-5-13-23(21)26)27(17-22-18-30-25-15-7-6-14-24(22)25)32-29(34)35-19-20-9-2-1-3-10-20/h1-16,18,27,30H,17,19H2,(H,31,33)(H,32,34)/t27-/m0/s1