(phenylmethyl) 2-[[3,5-bis[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenyl-propanoyl]amino]phenyl]carbonylamino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[3,5-bis[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenyl-propanoyl]amino]phenyl]carbonylamino]ethanoate Openeye Name: benzyl 2-[[3,5-bis[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenyl-propanoyl]amino]benzoyl]amino]acetate CAS Name: 2-[[[3,5-bis[[(2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-1-oxo-3-phenylpropyl]amino]phenyl]-oxomethyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[3,5-bis[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]benzoyl]amino]acetate Traditional Name: 2-[[3,5-bis[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenyl-propanoyl]amino]benzoyl]amino]acetic acid benzyl ester Formula: C64H55N5O9 MolecularWeight: 1038.1496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC2=CC(=CC(=C2)C(=O)NCC(=O)OCC3=CC=CC=C3)NC(=O)C(CC4=CC=CC=C4)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57)NC(=O)OCC8C9=CC=CC=C9C1=CC=CC=C81

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NC2=CC(=CC(=C2)C(=O)NCC(=O)OCC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57)NC(=O)OCC8C9=CC=CC=C9C1=CC=CC=C81

InChI

InChI=1S/C64H55N5O9/c70-59(76-38-43-22-8-3-9-23-43)37-65-60(71)44-34-45(66-61(72)57(32-41-18-4-1-5-19-41)68-63(74)77-39-55-51-28-14-10-24-47(51)48-25-11-15-29-52(48)55)36-46(35-44)67-62(73)58(33-42-20-6-2-7-21-42)69-64(75)78-40-56-53-30-16-12-26-49(53)50-27-13-17-31-54(50)56/h1-31,34-36,55-58H,32-33,37-40H2,(H,65,71)(H,66,72)(H,67,73)(H,68,74)(H,69,75)/t57-,58-/m0/s1