2-[tert-butylsulfanyl-(1-methylnaphthalen-2-yl)carbonyl-amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[tert-butylsulfanyl-(1-methylnaphthalen-2-yl)carbonyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-[tert-butylsulfanyl-(1-methylnaphthalene-2-carbonyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[(tert-butylthio)-[(1-methyl-2-naphthalenyl)-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[tert-butylsulfanyl-(1-methylnaphthalene-2-carbonyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(tert-butylthio)-(1-methyl-2-naphthoyl)amino]-3-phenyl-propionic acid Formula: C25H27NO3S MolecularWeight: 421.55178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=CC=CC=C12)C(=O)N(C(CC3=CC=CC=C3)C(=O)O)SC(C)(C)C

Isomeric SMILES

CC1=C(C=CC2=CC=CC=C12)C(=O)N(C(CC3=CC=CC=C3)C(=O)O)SC(C)(C)C

InChI

InChI=1S/C25H27NO3S/c1-17-20-13-9-8-12-19(20)14-15-21(17)23(27)26(30-25(2,3)4)22(24(28)29)16-18-10-6-5-7-11-18/h5-15,22H,16H2,1-4H3,(H,28,29)