2-azanyl-3-[(12-methylbenzo[a]anthracen-7-yl)methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[(12-methylbenzo[a]anthracen-7-yl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(12-methylbenzo[a]anthracen-7-yl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(12-methyl-7-benzo[a]anthracenyl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(12-methylbenzo[a]anthracen-7-yl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(12-methylbenz[a]anthracen-7-yl)methylthio]propionic acid Formula: C23H21NO2S MolecularWeight: 375.48334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C3=CC=CC=C13)CSCC(C(=O)O)N)C=CC4=CC=CC=C42

Isomeric SMILES

CC1=C2C(=C(C3=CC=CC=C13)CSCC(C(=O)O)N)C=CC4=CC=CC=C42

InChI

InChI=1S/C23H21NO2S/c1-14-16-7-4-5-9-18(16)20(12-27-13-21(24)23(25)26)19-11-10-15-6-2-3-8-17(15)22(14)19/h2-11,21H,12-13,24H2,1H3,(H,25,26)