2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[[2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-1-oxopropyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[[2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propionic acid Formula: C39H37N5O6 MolecularWeight: 671.74098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)OCC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C39H37N5O6/c45-36(43-35(38(47)48)19-25-11-3-1-4-12-25)33(20-27-22-40-31-17-9-7-15-29(27)31)42-37(46)34(21-28-23-41-32-18-10-8-16-30(28)32)44-39(49)50-24-26-13-5-2-6-14-26/h1-18,22-23,33-35,40-41H,19-21,24H2,(H,42,46)(H,43,45)(H,44,49)(H,47,48)