(2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-3-oxidanyl-2-phenyl-propanoyl]azetidine-2-carboxamide

Systemtic Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-3-oxidanyl-2-phenyl-propanoyl]azetidine-2-carboxamide Openeye Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-3-hydroxy-2-phenyl-propanoyl]azetidine-2-carboxamide CAS Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-3-hydroxy-1-oxo-2-phenylpropyl]-2-azetidinecarboxamide IUPAC Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-3-hydroxy-2-phenylpropanoyl]azetidine-2-carboxamide Traditional Name: (2S)-N-(4-amidinobenzyl)-1-[(2R)-3-hydroxy-2-phenyl-propanoyl]azetidine-2-carboxamide Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1C(=O)NCC2=CC=C(C=C2)C(=N)N)C(=O)C(CO)C3=CC=CC=C3

Isomeric SMILES

C1CN([C@@H]1C(=O)NCC2=CC=C(C=C2)C(=N)N)C(=O)[C@@H](CO)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4O3/c22-19(23)16-8-6-14(7-9-16)12-24-20(27)18-10-11-25(18)21(28)17(13-26)15-4-2-1-3-5-15/h1-9,17-18,26H,10-13H2,(H3,22,23)(H,24,27)/t17-,18-/m0/s1