(phenylmethyl) (3S)-2-[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (phenylmethyl) (3S)-2-[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: benzyl (3S)-2-[(2S)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[(2S)-3-(1H-indol-3-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-2-[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-[(2S)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid benzyl ester Formula: C33H35N3O5 MolecularWeight: 553.6481

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N3CC4=CC=CC=C4CC3C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N3CC4=CC=CC=C4C[C@H]3C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C33H35N3O5/c1-33(2,3)41-32(39)35-28(17-25-19-34-27-16-10-9-15-26(25)27)30(37)36-20-24-14-8-7-13-23(24)18-29(36)31(38)40-21-22-11-5-4-6-12-22/h4-16,19,28-29,34H,17-18,20-21H2,1-3H3,(H,35,39)/t28-,29-/m0/s1