N-[2-(1-carbamimidoylpiperidin-3-yl)ethyl]-1-[(2R)-3-oxidanyl-2-phenyl-propanoyl]azetidine-2-carboxamide

Systemtic Name: N-[2-(1-carbamimidoylpiperidin-3-yl)ethyl]-1-[(2R)-3-oxidanyl-2-phenyl-propanoyl]azetidine-2-carboxamide Openeye Name: N-[2-(1-carbamimidoyl-3-piperidyl)ethyl]-1-[(2R)-3-hydroxy-2-phenyl-propanoyl]azetidine-2-carboxamide CAS Name: N-[2-(1-carbamimidoyl-3-piperidinyl)ethyl]-1-[(2R)-3-hydroxy-1-oxo-2-phenylpropyl]-2-azetidinecarboxamide IUPAC Name: N-[2-(1-carbamimidoylpiperidin-3-yl)ethyl]-1-[(2R)-3-hydroxy-2-phenylpropanoyl]azetidine-2-carboxamide Traditional Name: N-[2-(1-amidino-3-piperidyl)ethyl]-1-[(2R)-3-hydroxy-2-phenyl-propanoyl]azetidine-2-carboxamide Formula: C21H31N5O3 MolecularWeight: 401.50254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=N)N)CCNC(=O)C2CCN2C(=O)C(CO)C3=CC=CC=C3

Isomeric SMILES

C1CC(CN(C1)C(=N)N)CCNC(=O)C2CCN2C(=O)[C@@H](CO)C3=CC=CC=C3

InChI

InChI=1S/C21H31N5O3/c22-21(23)25-11-4-5-15(13-25)8-10-24-19(28)18-9-12-26(18)20(29)17(14-27)16-6-2-1-3-7-16/h1-3,6-7,15,17-18,27H,4-5,8-14H2,(H3,22,23)(H,24,28)/t15?,17-,18?/m0/s1