(2S)-3-(7-bromanyl-1H-indol-3-yl)-2-[[(2S)-2-[[(2S)-3-(3-iodanyl-4-phenylmethoxy-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoic acid

Systemtic Name: (2S)-3-(7-bromanyl-1H-indol-3-yl)-2-[[(2S)-2-[[(2S)-3-(3-iodanyl-4-phenylmethoxy-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-3-(4-benzyloxy-3-iodo-phenyl)-2-(tert-butoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-(7-bromo-1H-indol-3-yl)propanoic acid CAS Name: (2S)-3-(7-bromo-1H-indol-3-yl)-2-[[(2S)-2-[[(2S)-3-(3-iodo-4-phenylmethoxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]propanoic acid IUPAC Name: (2S)-3-(7-bromo-1H-indol-3-yl)-2-[[(2S)-2-[[(2S)-3-(3-iodo-4-phenylmethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-3-(4-benzoxy-3-iodo-phenyl)-2-(tert-butoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-(7-bromo-1H-indol-3-yl)propionic acid Formula: C35H38BrIN4O7 MolecularWeight: 833.50729

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CNC2=C1C=CC=C2Br)C(=O)O)NC(=O)C(CC3=CC(=C(C=C3)OCC4=CC=CC=C4)I)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2Br)C(=O)O)NC(=O)[C@H](CC3=CC(=C(C=C3)OCC4=CC=CC=C4)I)NC(=O)OC(C)(C)C

InChI

InChI=1S/C35H38BrIN4O7/c1-20(31(42)40-28(33(44)45)17-23-18-38-30-24(23)11-8-12-25(30)36)39-32(43)27(41-34(46)48-35(2,3)4)16-22-13-14-29(26(37)15-22)47-19-21-9-6-5-7-10-21/h5-15,18,20,27-28,38H,16-17,19H2,1-4H3,(H,39,43)(H,40,42)(H,41,46)(H,44,45)/t20-,27-,28-/m0/s1