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2-acetamido-3-[(12-methylbenzo[a]anthracen-7-yl)methylsulfanyl]propanoic acid
2-acetamido-3-[(12-methylbenzo[a]anthracen-7-yl)methylsulfanyl]propanoic acid
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Descriptors Computed from Structure
Canonical SMILES:
CC1=C2C(=C(C3=CC=CC=C13)CSCC(C(=O)O)NC(=O)C)C=CC4=CC=CC=C42
Isomeric SMILES
CC1=C2C(=C(C3=CC=CC=C13)CSCC(C(=O)O)NC(=O)C)C=CC4=CC=CC=C42
InChI
InChI=1S/C25H23NO3S/c1-15-18-8-5-6-10-20(18)22(13-30-14-23(25(28)29)26-16(2)27)21-12-11-17-7-3-4-9-19(17)24(15)21/h3-12,23H,13-14H2,1-2H3,(H,26,27)(H,28,29)
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