(phenylmethyl) (2R)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2R)-2-[[(2S)-1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxy-propanoyl]pyrrolidin-2-yl]carbonylamino]propanoyl]amino]propanoyl]amino]propanoate

Systemtic Name: (phenylmethyl) (2R)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2R)-2-[[(2S)-1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxy-propanoyl]pyrrolidin-2-yl]carbonylamino]propanoyl]amino]propanoyl]amino]propanoate Openeye Name: benzyl (2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-1-[(2R)-3-benzyloxy-2-(tert-butoxycarbonylamino)propanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoate CAS Name: (2R)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2R)-2-[[[(2S)-1-[(2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylmethoxypropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2R)-2-[[(2S)-1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]propanoate Traditional Name: (2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-1-[(2R)-3-benzoxy-2-(tert-butoxycarbonylamino)propanoyl]prolyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propionic acid benzyl ester Formula: C44H54N6O9 MolecularWeight: 810.93436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(C)C(=O)OCC3=CC=CC=C3)NC(=O)C4CCCN4C(=O)C(COCC5=CC=CC=C5)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](C)C(=O)OCC3=CC=CC=C3)NC(=O)[C@@H]4CCCN4C(=O)[C@@H](COCC5=CC=CC=C5)NC(=O)OC(C)(C)C

InChI

InChI=1S/C44H54N6O9/c1-28(46-40(53)37-21-14-22-50(37)41(54)36(49-43(56)59-44(3,4)5)27-57-25-30-15-8-6-9-16-30)38(51)48-35(23-32-24-45-34-20-13-12-19-33(32)34)39(52)47-29(2)42(55)58-26-31-17-10-7-11-18-31/h6-13,15-20,24,28-29,35-37,45H,14,21-23,25-27H2,1-5H3,(H,46,53)(H,47,52)(H,48,51)(H,49,56)/t28-,29-,35+,36-,37+/m1/s1