(2S)-2-azanyl-3-[4-[5-(furan-3-ylmethylamino)pyrazin-2-yl]phenyl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[4-[5-(furan-3-ylmethylamino)pyrazin-2-yl]phenyl]propanoic acid Openeye Name: (2S)-2-amino-3-[4-[5-(3-furylmethylamino)pyrazin-2-yl]phenyl]propanoic acid CAS Name: (2S)-2-amino-3-[4-[5-(3-furanylmethylamino)-2-pyrazinyl]phenyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[4-[5-(furan-3-ylmethylamino)pyrazin-2-yl]phenyl]propanoic acid Traditional Name: (2S)-2-amino-3-[4-[5-(3-furfurylamino)pyrazin-2-yl]phenyl]propionic acid Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)N)C2=CN=C(C=N2)NCC3=COC=C3

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)O)N)C2=CN=C(C=N2)NCC3=COC=C3

InChI

InChI=1S/C18H18N4O3/c19-15(18(23)24)7-12-1-3-14(4-2-12)16-9-22-17(10-20-16)21-8-13-5-6-25-11-13/h1-6,9-11,15H,7-8,19H2,(H,21,22)(H,23,24)/t15-/m0/s1