(2S)-2-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[[4-(1H-benzimidazol-2-yl)-1-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]amino]-3-phenyl-propionic acid Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3N2)C(=O)NC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3N2)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H24N4O3/c27-21(28)19(14-15-6-2-1-3-7-15)25-22(29)26-12-10-16(11-13-26)20-23-17-8-4-5-9-18(17)24-20/h1-9,16,19H,10-14H2,(H,23,24)(H,25,29)(H,27,28)/t19-/m0/s1