(2S)-1-[(3-benzamido-2-oxidanylidene-heptyl)-methyl-carbamoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(3-benzamido-2-oxidanylidene-heptyl)-methyl-carbamoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(3-benzamido-2-oxo-heptyl)-methyl-carbamoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[[(3-benzamido-2-oxoheptyl)-methylamino]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(3-benzamido-2-oxoheptyl)-methylcarbamoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(3-benzamido-2-keto-heptyl)-methyl-carbamoyl]proline Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)CN(C)C(=O)N1CCCC1C(=O)O)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC(C(=O)CN(C)C(=O)N1CCC[C@H]1C(=O)O)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H29N3O5/c1-3-4-11-16(22-19(26)15-9-6-5-7-10-15)18(25)14-23(2)21(29)24-13-8-12-17(24)20(27)28/h5-7,9-10,16-17H,3-4,8,11-14H2,1-2H3,(H,22,26)(H,27,28)/t16?,17-/m0/s1