2-acetamido-3-[(10-methylanthracen-9-yl)methylsulfanyl]propanoic acid

Systemtic Name: 2-acetamido-3-[(10-methylanthracen-9-yl)methylsulfanyl]propanoic acid Openeye Name: 2-acetamido-3-[(10-methyl-9-anthryl)methylsulfanyl]propanoic acid CAS Name: 2-acetamido-3-[(10-methyl-9-anthracenyl)methylthio]propanoic acid IUPAC Name: 2-acetamido-3-[(10-methylanthracen-9-yl)methylsulfanyl]propanoic acid Traditional Name: 2-acetamido-3-[(10-methyl-9-anthryl)methylthio]propionic acid Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC=CC2=C(C3=CC=CC=C13)CSCC(C(=O)O)NC(=O)C

Isomeric SMILES

CC1=C2C=CC=CC2=C(C3=CC=CC=C13)CSCC(C(=O)O)NC(=O)C

InChI

InChI=1S/C21H21NO3S/c1-13-15-7-3-5-9-17(15)19(18-10-6-4-8-16(13)18)11-26-12-20(21(24)25)22-14(2)23/h3-10,20H,11-12H2,1-2H3,(H,22,23)(H,24,25)