(2S)-1-[(2S)-2-[2-(1H-benzimidazol-2-yl)ethanoylamino]-3-cyclohexyl-propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-2-[2-(1H-benzimidazol-2-yl)ethanoylamino]-3-cyclohexyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-2-[[2-(1H-benzimidazol-2-yl)acetyl]amino]-3-cyclohexyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-2-[[2-(1H-benzimidazol-2-yl)-1-oxoethyl]amino]-3-cyclohexyl-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-2-[[2-(1H-benzimidazol-2-yl)acetyl]amino]-3-cyclohexylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-2-[[2-(1H-benzimidazol-2-yl)acetyl]amino]-3-cyclohexyl-propanoyl]proline Formula: C23H30N4O4 MolecularWeight: 426.5087

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)N2CCCC2C(=O)O)NC(=O)CC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)N2CCC[C@H]2C(=O)O)NC(=O)CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C23H30N4O4/c28-21(14-20-24-16-9-4-5-10-17(16)25-20)26-18(13-15-7-2-1-3-8-15)22(29)27-12-6-11-19(27)23(30)31/h4-5,9-10,15,18-19H,1-3,6-8,11-14H2,(H,24,25)(H,26,28)(H,30,31)/t18-,19-/m0/s1