(2S)-2-[3-[(4-imidazol-1-ylphenyl)methylamino]propanoylamino]-3-phenyl-propanamide

Systemtic Name: (2S)-2-[3-[(4-imidazol-1-ylphenyl)methylamino]propanoylamino]-3-phenyl-propanamide Openeye Name: (2S)-2-[3-[(4-imidazol-1-ylphenyl)methylamino]propanoylamino]-3-phenyl-propanamide CAS Name: (2S)-2-[[3-[[4-(1-imidazolyl)phenyl]methylamino]-1-oxopropyl]amino]-3-phenylpropanamide IUPAC Name: (2S)-2-[3-[(4-imidazol-1-ylphenyl)methylamino]propanoylamino]-3-phenylpropanamide Traditional Name: (2S)-2-[3-[(4-imidazol-1-ylbenzyl)amino]propanoylamino]-3-phenyl-propionamide Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)N)NC(=O)CCNCC2=CC=C(C=C2)N3C=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N)NC(=O)CCNCC2=CC=C(C=C2)N3C=CN=C3

InChI

InChI=1S/C22H25N5O2/c23-22(29)20(14-17-4-2-1-3-5-17)26-21(28)10-11-24-15-18-6-8-19(9-7-18)27-13-12-25-16-27/h1-9,12-13,16,20,24H,10-11,14-15H2,(H2,23,29)(H,26,28)/t20-/m0/s1