methyl (2S)-3-(7-bromanyl-1H-indol-3-yl)-2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]propanoyl]amino]propanoate

Systemtic Name: methyl (2S)-3-(7-bromanyl-1H-indol-3-yl)-2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]propanoyl]amino]propanoate Openeye Name: methyl (2S)-2-[[(2S)-2-[[(2S)-3-(4-benzyloxyphenyl)-2-(tert-butoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-(7-bromo-1H-indol-3-yl)propanoate CAS Name: (2S)-3-(7-bromo-1H-indol-3-yl)-2-[[(2S)-2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-(4-phenylmethoxyphenyl)propyl]amino]-1-oxopropyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(7-bromo-1H-indol-3-yl)-2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]propanoyl]amino]propanoate Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-3-(4-benzoxyphenyl)-2-(tert-butoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-(7-bromo-1H-indol-3-yl)propionic acid methyl ester Formula: C36H41BrN4O7 MolecularWeight: 721.63734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H41BrN4O7/c1-22(32(42)40-30(34(44)46-5)19-25-20-38-31-27(25)12-9-13-28(31)37)39-33(43)29(41-35(45)48-36(2,3)4)18-23-14-16-26(17-15-23)47-21-24-10-7-6-8-11-24/h6-17,20,22,29-30,38H,18-19,21H2,1-5H3,(H,39,43)(H,40,42)(H,41,45)/t22-,29-,30-/m0/s1