(2S)-2-[(3-carbamimidoylphenyl)amino]-N-[4-(2-oxidanylidenepiperidin-1-yl)phenyl]-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[(3-carbamimidoylphenyl)amino]-N-[4-(2-oxidanylidenepiperidin-1-yl)phenyl]-2-phenyl-ethanamide Openeye Name: (2S)-2-(3-carbamimidoylanilino)-N-[4-(2-oxo-1-piperidyl)phenyl]-2-phenyl-acetamide CAS Name: (2S)-2-(3-carbamimidoylanilino)-N-[4-(2-oxo-1-piperidinyl)phenyl]-2-phenylacetamide IUPAC Name: (2S)-2-(3-carbamimidoylanilino)-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide Traditional Name: (2S)-2-(3-amidinoanilino)-N-[4-(2-ketopiperidino)phenyl]-2-phenyl-acetamide Formula: C26H27N5O2 MolecularWeight: 441.52488

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C1)C2=CC=C(C=C2)NC(=O)C(C3=CC=CC=C3)NC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

C1CCN(C(=O)C1)C2=CC=C(C=C2)NC(=O)[C@H](C3=CC=CC=C3)NC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C26H27N5O2/c27-25(28)19-9-6-10-21(17-19)29-24(18-7-2-1-3-8-18)26(33)30-20-12-14-22(15-13-20)31-16-5-4-11-23(31)32/h1-3,6-10,12-15,17,24,29H,4-5,11,16H2,(H3,27,28)(H,30,33)/t24-/m0/s1