(phenylmethyl) (E)-4-acetyloxy-2-(1H-indol-3-ylmethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate

Systemtic Name: (phenylmethyl) (E)-4-acetyloxy-2-(1H-indol-3-ylmethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate Openeye Name: benzyl (E)-4-acetoxy-5-(tert-butoxycarbonylamino)-2-(1H-indol-3-ylmethyl)pent-2-enoate CAS Name: (E)-4-acetyloxy-2-(1H-indol-3-ylmethyl)-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-pentenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E)-4-acetyloxy-2-(1H-indol-3-ylmethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate Traditional Name: (E)-4-acetoxy-5-(tert-butoxycarbonylamino)-2-(1H-indol-3-ylmethyl)pent-2-enoic acid benzyl ester Formula: C28H32N2O6 MolecularWeight: 492.56348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CNC(=O)OC(C)(C)C)C=C(CC1=CNC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)OC(CNC(=O)OC(C)(C)C)/C=C(\CC1=CNC2=CC=CC=C21)/C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H32N2O6/c1-19(31)35-23(17-30-27(33)36-28(2,3)4)15-21(26(32)34-18-20-10-6-5-7-11-20)14-22-16-29-25-13-9-8-12-24(22)25/h5-13,15-16,23,29H,14,17-18H2,1-4H3,(H,30,33)/b21-15+