(2S)-1-[(2S)-6-azanyl-2-[2-(1H-benzimidazol-2-yl)ethanoylamino]hexanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-6-azanyl-2-[2-(1H-benzimidazol-2-yl)ethanoylamino]hexanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-6-amino-2-[[2-(1H-benzimidazol-2-yl)acetyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-6-amino-2-[[2-(1H-benzimidazol-2-yl)-1-oxoethyl]amino]-1-oxohexyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-6-amino-2-[[2-(1H-benzimidazol-2-yl)acetyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-6-amino-2-[[2-(1H-benzimidazol-2-yl)acetyl]amino]hexanoyl]proline Formula: C20H27N5O4 MolecularWeight: 401.45948

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCCN)NC(=O)CC2=NC3=CC=CC=C3N2)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CCCCN)NC(=O)CC2=NC3=CC=CC=C3N2)C(=O)O

InChI

InChI=1S/C20H27N5O4/c21-10-4-3-8-15(19(27)25-11-5-9-16(25)20(28)29)24-18(26)12-17-22-13-6-1-2-7-14(13)23-17/h1-2,6-7,15-16H,3-5,8-12,21H2,(H,22,23)(H,24,26)(H,28,29)/t15-,16-/m0/s1