(2S)-3-(1H-imidazol-5-yl)-2-[(phenylmethyl)-prop-2-enoyl-amino]propanoic acid

Systemtic Name: (2S)-3-(1H-imidazol-5-yl)-2-[(phenylmethyl)-prop-2-enoyl-amino]propanoic acid Openeye Name: (2S)-2-[benzyl(prop-2-enoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: (2S)-3-(1H-imidazol-5-yl)-2-[1-oxoprop-2-enyl-(phenylmethyl)amino]propanoic acid IUPAC Name: (2S)-2-[benzyl(prop-2-enoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: (2S)-2-[acryloyl(benzyl)amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)N(CC1=CC=CC=C1)C(CC2=CN=CN2)C(=O)O

Isomeric SMILES

C=CC(=O)N(CC1=CC=CC=C1)[C@@H](CC2=CN=CN2)C(=O)O

InChI

InChI=1S/C16H17N3O3/c1-2-15(20)19(10-12-6-4-3-5-7-12)14(16(21)22)8-13-9-17-11-18-13/h2-7,9,11,14H,1,8,10H2,(H,17,18)(H,21,22)/t14-/m0/s1