(phenylmethyl) (2S)-1-[(2S)-2-azanyl-6-(phenylmethoxycarbonylamino)hexyl]pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-[(2S)-2-azanyl-6-(phenylmethoxycarbonylamino)hexyl]pyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-[(2S)-2-amino-6-(benzyloxycarbonylamino)hexyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S)-2-amino-6-(phenylmethoxycarbonylamino)hexyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-[(2S)-2-amino-6-(phenylmethoxycarbonylamino)hexyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S)-2-amino-6-(benzyloxycarbonylamino)hexyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C26H35N3O4 MolecularWeight: 453.5738

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC(CCCCNC(=O)OCC2=CC=CC=C2)N)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1C[C@H](N(C1)C[C@H](CCCCNC(=O)OCC2=CC=CC=C2)N)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H35N3O4/c27-23(14-7-8-16-28-26(31)33-20-22-12-5-2-6-13-22)18-29-17-9-15-24(29)25(30)32-19-21-10-3-1-4-11-21/h1-6,10-13,23-24H,7-9,14-20,27H2,(H,28,31)/t23-,24-/m0/s1