methyl 4-[[6-azanyl-2-(phenylmethoxycarbonylamino)hexanoyl]amino]-2-phenyl-benzoate

Systemtic Name: methyl 4-[[6-azanyl-2-(phenylmethoxycarbonylamino)hexanoyl]amino]-2-phenyl-benzoate Openeye Name: methyl 4-[[6-amino-2-(benzyloxycarbonylamino)hexanoyl]amino]-2-phenyl-benzoate CAS Name: 4-[[6-amino-1-oxo-2-(phenylmethoxycarbonylamino)hexyl]amino]-2-phenylbenzoic acid methyl ester IUPAC Name: methyl 4-[[6-amino-2-(phenylmethoxycarbonylamino)hexanoyl]amino]-2-phenylbenzoate Traditional Name: 4-[[6-amino-2-(benzyloxycarbonylamino)hexanoyl]amino]-2-phenyl-benzoic acid methyl ester Formula: C28H31N3O5 MolecularWeight: 489.56284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)NC(=O)C(CCCCN)NC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)NC(=O)C(CCCCN)NC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C28H31N3O5/c1-35-27(33)23-16-15-22(18-24(23)21-12-6-3-7-13-21)30-26(32)25(14-8-9-17-29)31-28(34)36-19-20-10-4-2-5-11-20/h2-7,10-13,15-16,18,25H,8-9,14,17,19,29H2,1H3,(H,30,32)(H,31,34)