2-azanylethanoyl-(2-azanyl-2-oxidanylidene-ethyl)-(1-oxidanylhexyl)-[2-(triphenylmethyl)sulfanylethanoyl]azanium

Systemtic Name: 2-azanylethanoyl-(2-azanyl-2-oxidanylidene-ethyl)-(1-oxidanylhexyl)-[2-(triphenylmethyl)sulfanylethanoyl]azanium Openeye Name: (2-aminoacetyl)-(2-amino-2-oxo-ethyl)-(1-hydroxyhexyl)-(2-tritylsulfanylacetyl)ammonium CAS Name: (2-amino-1-oxoethyl)-(2-amino-2-oxoethyl)-(1-hydroxyhexyl)-[1-oxo-2-[(triphenylmethyl)thio]ethyl]ammonium IUPAC Name: (2-aminoacetyl)-(2-amino-2-oxoethyl)-(1-hydroxyhexyl)-(2-tritylsulfanylacetyl)azanium Traditional Name: (2-amino-2-keto-ethyl)-glycyl-(1-hydroxyhexyl)-[2-(tritylthio)acetyl]ammonium Formula: C31H38N3O4S+ MolecularWeight: 548.71612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC([N+](CC(=O)N)(C(=O)CN)C(=O)CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)O

Isomeric SMILES

CCCCCC([N+](CC(=O)N)(C(=O)CN)C(=O)CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C31H37N3O4S/c1-2-3-7-20-28(36)34(22-27(33)35,29(37)21-32)30(38)23-39-31(24-14-8-4-9-15-24,25-16-10-5-11-17-25)26-18-12-6-13-19-26/h4-6,8-19,28,36H,2-3,7,20-23,32H2,1H3,(H-,33,35)/p+1