2-(2-methylpropanoylamino)-3-(triphenylmethyl)sulfanyl-propanoic acid

Systemtic Name: 2-(2-methylpropanoylamino)-3-(triphenylmethyl)sulfanyl-propanoic acid Openeye Name: 2-(2-methylpropanoylamino)-3-tritylsulfanyl-propanoic acid CAS Name: 2-[(2-methyl-1-oxopropyl)amino]-3-[(triphenylmethyl)thio]propanoic acid IUPAC Name: 2-(2-methylpropanoylamino)-3-tritylsulfanylpropanoic acid Traditional Name: 2-(isobutyrylamino)-3-(tritylthio)propionic acid Formula: C26H27NO3S MolecularWeight: 433.56248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)C(=O)NC(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H27NO3S/c1-19(2)24(28)27-23(25(29)30)18-31-26(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,19,23H,18H2,1-2H3,(H,27,28)(H,29,30)