(phenylmethyl) 2-[[(E)-8-azanyl-2-methyl-8-oxidanylidene-oct-5-en-4-yl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[[(E)-8-azanyl-2-methyl-8-oxidanylidene-oct-5-en-4-yl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[[(E)-5-amino-1-isobutyl-5-oxo-pent-2-enyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[[(E)-8-amino-2-methyl-8-oxooct-5-en-4-yl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[(E)-8-amino-2-methyl-8-oxooct-5-en-4-yl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[(E)-5-amino-1-isobutyl-5-keto-pent-2-enyl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C=CCC(=O)N)NC(=O)C1CCCN1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(/C=C/CC(=O)N)NC(=O)C1CCCN1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H31N3O4/c1-16(2)14-18(10-6-12-20(23)26)24-21(27)19-11-7-13-25(19)22(28)29-15-17-8-4-3-5-9-17/h3-6,8-10,16,18-19H,7,11-15H2,1-2H3,(H2,23,26)(H,24,27)/b10-6+