(2S)-1-[(7-azanyl-3-benzamido-2-oxidanylidene-heptyl)-methyl-carbamoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(7-azanyl-3-benzamido-2-oxidanylidene-heptyl)-methyl-carbamoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(7-amino-3-benzamido-2-oxo-heptyl)-methyl-carbamoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[[(7-amino-3-benzamido-2-oxoheptyl)-methylamino]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(7-amino-3-benzamido-2-oxoheptyl)-methylcarbamoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(7-amino-3-benzamido-2-keto-heptyl)-methyl-carbamoyl]proline Formula: C21H30N4O5 MolecularWeight: 418.4867

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)C(CCCCN)NC(=O)C1=CC=CC=C1)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CN(CC(=O)C(CCCCN)NC(=O)C1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)O

InChI

InChI=1S/C21H30N4O5/c1-24(21(30)25-13-7-11-17(25)20(28)29)14-18(26)16(10-5-6-12-22)23-19(27)15-8-3-2-4-9-15/h2-4,8-9,16-17H,5-7,10-14,22H2,1H3,(H,23,27)(H,28,29)/t16?,17-/m0/s1