ethyl 3-[1,7-bis(phenylmethoxycarbonylamino)heptyl-phenylmethoxycarbonyl-amino]propanoate

Systemtic Name: ethyl 3-[1,7-bis(phenylmethoxycarbonylamino)heptyl-phenylmethoxycarbonyl-amino]propanoate Openeye Name: ethyl 3-[benzyloxycarbonyl-[1,7-bis(benzyloxycarbonylamino)heptyl]amino]propanoate CAS Name: 3-[1,7-bis(phenylmethoxycarbonylamino)heptyl-phenylmethoxycarbonylamino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[1,7-bis(phenylmethoxycarbonylamino)heptyl-phenylmethoxycarbonylamino]propanoate Traditional Name: 3-[1,7-bis(benzyloxycarbonylamino)heptyl-carbobenzoxy-amino]propionic acid ethyl ester Formula: C36H45N3O8 MolecularWeight: 647.7578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C(CCCCCCNC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCN(C(CCCCCCNC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C36H45N3O8/c1-2-44-33(40)23-25-39(36(43)47-28-31-20-12-7-13-21-31)32(38-35(42)46-27-30-18-10-6-11-19-30)22-14-3-4-15-24-37-34(41)45-26-29-16-8-5-9-17-29/h5-13,16-21,32H,2-4,14-15,22-28H2,1H3,(H,37,41)(H,38,42)