(2S)-2-(2-benzamidoethylamino)-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: (2S)-2-(2-benzamidoethylamino)-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: (2S)-2-(2-benzamidoethylamino)-3-(1H-imidazol-5-yl)propanoic acid CAS Name: (2S)-2-(2-benzamidoethylamino)-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: (2S)-2-(2-benzamidoethylamino)-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: (2S)-2-(2-benzamidoethylamino)-3-(1H-imidazol-5-yl)propionic acid Formula: C15H18N4O3 MolecularWeight: 302.32842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCCNC(CC2=CN=CN2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCCN[C@@H](CC2=CN=CN2)C(=O)O

InChI

InChI=1S/C15H18N4O3/c20-14(11-4-2-1-3-5-11)18-7-6-17-13(15(21)22)8-12-9-16-10-19-12/h1-5,9-10,13,17H,6-8H2,(H,16,19)(H,18,20)(H,21,22)/t13-/m0/s1