[(2S)-5-[bis(phenylmethoxycarbonylamino)methylideneamino]-1-cyano-2-(phenylmethoxycarbonylamino)pentyl] ethanoate

Systemtic Name: [(2S)-5-[bis(phenylmethoxycarbonylamino)methylideneamino]-1-cyano-2-(phenylmethoxycarbonylamino)pentyl] ethanoate Openeye Name: [(2S)-2-(benzyloxycarbonylamino)-5-[bis(benzyloxycarbonylamino)methyleneamino]-1-cyano-pentyl] acetate CAS Name: acetic acid [(2S)-5-[bis(phenylmethoxycarbonylamino)methylideneamino]-1-cyano-2-(phenylmethoxycarbonylamino)pentyl] ester IUPAC Name: [(2S)-5-[bis(phenylmethoxycarbonylamino)methylideneamino]-1-cyano-2-(phenylmethoxycarbonylamino)pentyl] acetate Traditional Name: acetic acid [(2S)-2-(benzyloxycarbonylamino)-5-[bis(benzyloxycarbonylamino)methyleneamino]-1-cyano-pentyl] ester Formula: C33H35N5O8 MolecularWeight: 629.6597

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C#N)C(CCCN=C(NC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)OC(C#N)[C@H](CCCN=C(NC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C33H35N5O8/c1-24(39)46-29(20-34)28(36-31(40)43-21-25-12-5-2-6-13-25)18-11-19-35-30(37-32(41)44-22-26-14-7-3-8-15-26)38-33(42)45-23-27-16-9-4-10-17-27/h2-10,12-17,28-29H,11,18-19,21-23H2,1H3,(H,36,40)(H2,35,37,38,41,42)/t28-,29?/m0/s1