(phenylmethyl) 3-(1H-indol-3-yl)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[3-(phenylmethyl)imidazol-4-yl]propanoyl]amino]propanoate

Systemtic Name: (phenylmethyl) 3-(1H-indol-3-yl)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[3-(phenylmethyl)imidazol-4-yl]propanoyl]amino]propanoate Openeye Name: benzyl 2-[[3-(3-benzylimidazol-4-yl)-2-(tert-butoxycarbonylamino)propanoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-[3-(phenylmethyl)-4-imidazolyl]propyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[3-(3-benzylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[3-(3-benzylimidazol-4-yl)-2-(tert-butoxycarbonylamino)propanoyl]amino]-3-(1H-indol-3-yl)propionic acid benzyl ester Formula: C36H39N5O5 MolecularWeight: 621.72536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CN=CN1CC2=CC=CC=C2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CN=CN1CC2=CC=CC=C2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C36H39N5O5/c1-36(2,3)46-35(44)40-31(19-28-21-37-24-41(28)22-25-12-6-4-7-13-25)33(42)39-32(34(43)45-23-26-14-8-5-9-15-26)18-27-20-38-30-17-11-10-16-29(27)30/h4-17,20-21,24,31-32,38H,18-19,22-23H2,1-3H3,(H,39,42)(H,40,44)