(2S)-2-[5-(aminomethyl)-4-prop-2-enyl-1,2,3-triazol-1-yl]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[5-(aminomethyl)-4-prop-2-enyl-1,2,3-triazol-1-yl]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[4-allyl-5-(aminomethyl)triazol-1-yl]-3-phenyl-propanoic acid CAS Name: (2S)-2-[5-(aminomethyl)-4-prop-2-enyl-1-triazolyl]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[5-(aminomethyl)-4-prop-2-enyltriazol-1-yl]-3-phenylpropanoic acid Traditional Name: (2S)-2-[4-allyl-5-(aminomethyl)triazol-1-yl]-3-phenyl-propionic acid Formula: C15H18N4O2 MolecularWeight: 286.32902

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(N(N=N1)C(CC2=CC=CC=C2)C(=O)O)CN

Isomeric SMILES

C=CCC1=C(N(N=N1)[C@@H](CC2=CC=CC=C2)C(=O)O)CN

InChI

InChI=1S/C15H18N4O2/c1-2-6-12-14(10-16)19(18-17-12)13(15(20)21)9-11-7-4-3-5-8-11/h2-5,7-8,13H,1,6,9-10,16H2,(H,20,21)/t13-/m0/s1