(2S)-2-[ethanoyl(pyren-1-yl)amino]propanoic acid

Systemtic Name: (2S)-2-[ethanoyl(pyren-1-yl)amino]propanoic acid Openeye Name: (2S)-2-[acetyl(pyren-1-yl)amino]propanoic acid CAS Name: (2S)-2-[acetyl(1-pyrenyl)amino]propanoic acid IUPAC Name: (2S)-2-[acetyl(pyren-1-yl)amino]propanoic acid Traditional Name: (2S)-2-[acetyl(pyren-1-yl)amino]propionic acid Formula: C21H17NO3 MolecularWeight: 331.36458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)C(=O)C

Isomeric SMILES

C[C@@H](C(=O)O)N(C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)C(=O)C

InChI

InChI=1S/C21H17NO3/c1-12(21(24)25)22(13(2)23)18-11-9-16-7-6-14-4-3-5-15-8-10-17(18)20(16)19(14)15/h3-12H,1-2H3,(H,24,25)/t12-/m0/s1