1,3-bis(3-phenylpropanoylamino)propan-2-yl 2-(phenylmethoxycarbonylamino)ethanoate

Systemtic Name: 1,3-bis(3-phenylpropanoylamino)propan-2-yl 2-(phenylmethoxycarbonylamino)ethanoate Openeye Name: [2-(3-phenylpropanoylamino)-1-[(3-phenylpropanoylamino)methyl]ethyl] 2-(benzyloxycarbonylamino)acetate CAS Name: 2-(phenylmethoxycarbonylamino)acetic acid 1,3-bis[(1-oxo-3-phenylpropyl)amino]propan-2-yl ester IUPAC Name: 1,3-bis(3-phenylpropanoylamino)propan-2-yl 2-(phenylmethoxycarbonylamino)acetate Traditional Name: 2-(benzyloxycarbonylamino)acetic acid [2-(hydrocinnamoylamino)-1-[(hydrocinnamoylamino)methyl]ethyl] ester Formula: C31H35N3O6 MolecularWeight: 545.6261

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NCC(CNC(=O)CCC2=CC=CC=C2)OC(=O)CNC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NCC(CNC(=O)CCC2=CC=CC=C2)OC(=O)CNC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C31H35N3O6/c35-28(18-16-24-10-4-1-5-11-24)32-20-27(21-33-29(36)19-17-25-12-6-2-7-13-25)40-30(37)22-34-31(38)39-23-26-14-8-3-9-15-26/h1-15,27H,16-23H2,(H,32,35)(H,33,36)(H,34,38)