(phenylmethyl) 3-[[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]carbamoyl]-4-methyl-pent-3-enoate

Systemtic Name: (phenylmethyl) 3-[[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]carbamoyl]-4-methyl-pent-3-enoate Openeye Name: benzyl 3-[[(1S)-1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxo-ethyl]carbamoyl]-4-methyl-pent-3-enoate CAS Name: 3-[[[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-oxomethyl]-4-methyl-3-pentenoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-4-methylpent-3-enoate Traditional Name: 3-[[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-methoxy-ethyl]carbamoyl]-4-methyl-pent-3-enoic acid benzyl ester Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(CC(=O)OCC1=CC=CC=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC)C

Isomeric SMILES

CC(=C(CC(=O)OCC1=CC=CC=C1)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)OC)C

InChI

InChI=1S/C26H28N2O5/c1-17(2)21(14-24(29)33-16-18-9-5-4-6-10-18)25(30)28-23(26(31)32-3)13-19-15-27-22-12-8-7-11-20(19)22/h4-12,15,23,27H,13-14,16H2,1-3H3,(H,28,30)/t23-/m0/s1