(2S,7S)-8-oxidanylidene-8-phenacyloxy-2,7-bis(phenylmethoxycarbonylamino)octanoic acid

Systemtic Name: (2S,7S)-8-oxidanylidene-8-phenacyloxy-2,7-bis(phenylmethoxycarbonylamino)octanoic acid Openeye Name: (2S,7S)-2,7-bis(benzyloxycarbonylamino)-8-oxo-8-phenacyloxy-octanoic acid CAS Name: (2S,7S)-8-oxo-8-phenacyloxy-2,7-bis(phenylmethoxycarbonylamino)octanoic acid IUPAC Name: (2S,7S)-8-oxo-8-phenacyloxy-2,7-bis(phenylmethoxycarbonylamino)octanoic acid Traditional Name: (2S,7S)-2,7-bis(benzyloxycarbonylamino)-8-keto-8-phenacyloxy-caprylic acid Formula: C32H34N2O9 MolecularWeight: 590.62036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCCCC(C(=O)OCC(=O)C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CCCC[C@@H](C(=O)OCC(=O)C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C32H34N2O9/c35-28(25-16-8-3-9-17-25)22-41-30(38)27(34-32(40)43-21-24-14-6-2-7-15-24)19-11-10-18-26(29(36)37)33-31(39)42-20-23-12-4-1-5-13-23/h1-9,12-17,26-27H,10-11,18-22H2,(H,33,39)(H,34,40)(H,36,37)/t26-,27-/m0/s1