1,3-bis(oxidanyl)propan-2-yl 1-[6-azanyl-2-[(1-octoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]hexanoyl]pyrrolidine-2-carboxylate

Systemtic Name: 1,3-bis(oxidanyl)propan-2-yl 1-[6-azanyl-2-[(1-octoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]hexanoyl]pyrrolidine-2-carboxylate Openeye Name: [2-hydroxy-1-(hydroxymethyl)ethyl] 1-[6-amino-2-[(1-octoxycarbonyl-3-phenyl-propyl)amino]hexanoyl]pyrrolidine-2-carboxylate CAS Name: 1-[6-amino-2-[(1-octoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxohexyl]-2-pyrrolidinecarboxylic acid 1,3-dihydroxypropan-2-yl ester IUPAC Name: 1,3-dihydroxypropan-2-yl 1-[6-amino-2-[(1-octoxy-1-oxo-4-phenylbutan-2-yl)amino]hexanoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[6-amino-2-[(1-octoxycarbonyl-3-phenyl-propyl)amino]hexanoyl]pyrrolidine-2-carboxylic acid (2-hydroxy-1-methylol-ethyl) ester Formula: C32H53N3O7 MolecularWeight: 591.77912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(CCC1=CC=CC=C1)NC(CCCCN)C(=O)N2CCCC2C(=O)OC(CO)CO

Isomeric SMILES

CCCCCCCCOC(=O)C(CCC1=CC=CC=C1)NC(CCCCN)C(=O)N2CCCC2C(=O)OC(CO)CO

InChI

InChI=1S/C32H53N3O7/c1-2-3-4-5-6-12-22-41-31(39)28(19-18-25-14-8-7-9-15-25)34-27(16-10-11-20-33)30(38)35-21-13-17-29(35)32(40)42-26(23-36)24-37/h7-9,14-15,26-29,34,36-37H,2-6,10-13,16-24,33H2,1H3