(phenylmethyl) 2-[[6-azanyl-2-(phenylmethoxycarbonylamino)hexanoyl]amino]-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) 2-[[6-azanyl-2-(phenylmethoxycarbonylamino)hexanoyl]amino]-3-phenyl-propanoate Openeye Name: benzyl 2-[[6-amino-2-(benzyloxycarbonylamino)hexanoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[6-amino-1-oxo-2-(phenylmethoxycarbonylamino)hexyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[6-amino-2-(phenylmethoxycarbonylamino)hexanoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[6-amino-2-(benzyloxycarbonylamino)hexanoyl]amino]-3-phenyl-propionic acid benzyl ester Formula: C30H35N3O5 MolecularWeight: 517.616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)NC(=O)C(CCCCN)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)NC(=O)C(CCCCN)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C30H35N3O5/c31-19-11-10-18-26(33-30(36)38-22-25-16-8-3-9-17-25)28(34)32-27(20-23-12-4-1-5-13-23)29(35)37-21-24-14-6-2-7-15-24/h1-9,12-17,26-27H,10-11,18-22,31H2,(H,32,34)(H,33,36)