(2S)-3-[3-(phenylmethyl)imidazol-4-yl]-2-(prop-2-enoylamino)propanoic acid

Systemtic Name: (2S)-3-[3-(phenylmethyl)imidazol-4-yl]-2-(prop-2-enoylamino)propanoic acid Openeye Name: (2S)-3-(3-benzylimidazol-4-yl)-2-(prop-2-enoylamino)propanoic acid CAS Name: (2S)-2-(1-oxoprop-2-enylamino)-3-[3-(phenylmethyl)-4-imidazolyl]propanoic acid IUPAC Name: (2S)-3-(3-benzylimidazol-4-yl)-2-(prop-2-enoylamino)propanoic acid Traditional Name: (2S)-2-acrylamido-3-(3-benzylimidazol-4-yl)propionic acid Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NC(CC1=CN=CN1CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C=CC(=O)N[C@@H](CC1=CN=CN1CC2=CC=CC=C2)C(=O)O

InChI

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