(2S)-3-(1H-imidazol-5-yl)-2-[6-(4-phenylbutanoylamino)hexanoylamino]propanoic acid

Systemtic Name: (2S)-3-(1H-imidazol-5-yl)-2-[6-(4-phenylbutanoylamino)hexanoylamino]propanoic acid Openeye Name: (2S)-3-(1H-imidazol-5-yl)-2-[6-(4-phenylbutanoylamino)hexanoylamino]propanoic acid CAS Name: (2S)-3-(1H-imidazol-5-yl)-2-[[1-oxo-6-[(1-oxo-4-phenylbutyl)amino]hexyl]amino]propanoic acid IUPAC Name: (2S)-3-(1H-imidazol-5-yl)-2-[6-(4-phenylbutanoylamino)hexanoylamino]propanoic acid Traditional Name: (2S)-3-(1H-imidazol-5-yl)-2-[6-(4-phenylbutanoylamino)hexanoylamino]propionic acid Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(=O)NCCCCCC(=O)NC(CC2=CN=CN2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCC(=O)NCCCCCC(=O)N[C@@H](CC2=CN=CN2)C(=O)O

InChI

InChI=1S/C22H30N4O4/c27-20(12-7-10-17-8-3-1-4-9-17)24-13-6-2-5-11-21(28)26-19(22(29)30)14-18-15-23-16-25-18/h1,3-4,8-9,15-16,19H,2,5-7,10-14H2,(H,23,25)(H,24,27)(H,26,28)(H,29,30)/t19-/m0/s1