5-[2,6-bis(azanyl)hexanoyl]-4-phenylmethoxycarbonyl-4-azabicyclo[3.1.0]hexane-3-carboxylate

Systemtic Name: 5-[2,6-bis(azanyl)hexanoyl]-4-phenylmethoxycarbonyl-4-azabicyclo[3.1.0]hexane-3-carboxylate Openeye Name: 4-benzyloxycarbonyl-5-(2,6-diaminohexanoyl)-4-azabicyclo[3.1.0]hexane-3-carboxylate CAS Name: 5-(2,6-diamino-1-oxohexyl)-4-phenylmethoxycarbonyl-4-azabicyclo[3.1.0]hexane-3-carboxylate IUPAC Name: 5-(2,6-diaminohexanoyl)-4-phenylmethoxycarbonyl-4-azabicyclo[3.1.0]hexane-3-carboxylate Traditional Name: 4-carbobenzoxy-5-(2,6-diaminohexanoyl)-4-azabicyclo[3.1.0]hexane-3-carboxylate Formula: C20H26N3O5- MolecularWeight: 388.43754

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC2(N(C1C(=O)[O-])C(=O)OCC3=CC=CC=C3)C(=O)C(CCCCN)N

Isomeric SMILES

C1C2CC2(N(C1C(=O)[O-])C(=O)OCC3=CC=CC=C3)C(=O)C(CCCCN)N

InChI

InChI=1S/C20H27N3O5/c21-9-5-4-8-15(22)17(24)20-11-14(20)10-16(18(25)26)23(20)19(27)28-12-13-6-2-1-3-7-13/h1-3,6-7,14-16H,4-5,8-12,21-22H2,(H,25,26)/p-1