1-[6-azanyl-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]hexanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[6-azanyl-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]hexanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[6-amino-2-[[2-(benzyloxycarbonylamino)acetyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[6-amino-1-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]hexyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[6-amino-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[6-amino-2-[[2-(benzyloxycarbonylamino)acetyl]amino]hexanoyl]proline Formula: C21H30N4O6 MolecularWeight: 434.4861

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCCN)NC(=O)CNC(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CCCCN)NC(=O)CNC(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H30N4O6/c22-11-5-4-9-16(19(27)25-12-6-10-17(25)20(28)29)24-18(26)13-23-21(30)31-14-15-7-2-1-3-8-15/h1-3,7-8,16-17H,4-6,9-14,22H2,(H,23,30)(H,24,26)(H,28,29)