methyl (2S)-2,5-bis[[2,3-bis(phenylmethoxy)phenyl]carbonylamino]pentanoate

Systemtic Name: methyl (2S)-2,5-bis[[2,3-bis(phenylmethoxy)phenyl]carbonylamino]pentanoate Openeye Name: methyl (2S)-2,5-bis[(2,3-dibenzyloxybenzoyl)amino]pentanoate CAS Name: (2S)-2,5-bis[[[2,3-bis(phenylmethoxy)phenyl]-oxomethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-2,5-bis[[2,3-bis(phenylmethoxy)benzoyl]amino]pentanoate Traditional Name: (2S)-2,5-bis[(2,3-dibenzoxybenzoyl)amino]valeric acid methyl ester Formula: C48H46N2O8 MolecularWeight: 778.88744

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCNC(=O)C1=C(C(=CC=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)NC(=O)C4=C(C(=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

Isomeric SMILES

COC(=O)[C@H](CCCNC(=O)C1=C(C(=CC=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)NC(=O)C4=C(C(=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C48H46N2O8/c1-54-48(53)41(50-47(52)40-26-15-29-43(56-32-36-19-8-3-9-20-36)45(40)58-34-38-23-12-5-13-24-38)27-16-30-49-46(51)39-25-14-28-42(55-31-35-17-6-2-7-18-35)44(39)57-33-37-21-10-4-11-22-37/h2-15,17-26,28-29,41H,16,27,30-34H2,1H3,(H,49,51)(H,50,52)/t41-/m0/s1