2-[3-(2-azanylethylamino)propyl]-4-methyl-4-(triphenylmethyl)sulfanyl-pentanoic acid

Systemtic Name: 2-[3-(2-azanylethylamino)propyl]-4-methyl-4-(triphenylmethyl)sulfanyl-pentanoic acid Openeye Name: 2-[3-(2-aminoethylamino)propyl]-4-methyl-4-tritylsulfanyl-pentanoic acid CAS Name: 2-[3-(2-aminoethylamino)propyl]-4-methyl-4-[(triphenylmethyl)thio]pentanoic acid IUPAC Name: 2-[3-(2-aminoethylamino)propyl]-4-methyl-4-tritylsulfanylpentanoic acid Traditional Name: 2-[3-(2-aminoethylamino)propyl]-4-methyl-4-(tritylthio)valeric acid Formula: C30H38N2O2S MolecularWeight: 490.69992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(CCCNCCN)C(=O)O)SC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(CC(CCCNCCN)C(=O)O)SC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C30H38N2O2S/c1-29(2,23-24(28(33)34)13-12-21-32-22-20-31)35-30(25-14-6-3-7-15-25,26-16-8-4-9-17-26)27-18-10-5-11-19-27/h3-11,14-19,24,32H,12-13,20-23,31H2,1-2H3,(H,33,34)