(2S)-1-[(2R)-2-azanyl-3-phenyl-propanoyl]-N-[(3-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2R)-2-azanyl-3-phenyl-propanoyl]-N-[(3-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2R)-2-amino-3-phenyl-propanoyl]-N-[(3-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(2R)-2-amino-1-oxo-3-phenylpropyl]-N-[(3-carbamimidoylphenyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-[(3-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(3-amidinobenzyl)-1-[(2R)-2-amino-3-phenyl-propanoyl]pyrrolidine-2-carboxamide Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)N)C(=O)NCC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@@H](CC2=CC=CC=C2)N)C(=O)NCC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C22H27N5O2/c23-18(13-15-6-2-1-3-7-15)22(29)27-11-5-10-19(27)21(28)26-14-16-8-4-9-17(12-16)20(24)25/h1-4,6-9,12,18-19H,5,10-11,13-14,23H2,(H3,24,25)(H,26,28)/t18-,19+/m1/s1