N-[2-azanyl-3-(triphenylmethyl)sulfanyl-propanoyl]-2-(2,2-diphenylethanoylamino)-3-(3-methylphenyl)propanamide

Systemtic Name: N-[2-azanyl-3-(triphenylmethyl)sulfanyl-propanoyl]-2-(2,2-diphenylethanoylamino)-3-(3-methylphenyl)propanamide Openeye Name: N-(2-amino-3-tritylsulfanyl-propanoyl)-2-[(2,2-diphenylacetyl)amino]-3-(m-tolyl)propanamide CAS Name: N-[2-amino-1-oxo-3-[(triphenylmethyl)thio]propyl]-3-(3-methylphenyl)-2-[(1-oxo-2,2-diphenylethyl)amino]propanamide IUPAC Name: N-(2-amino-3-tritylsulfanylpropanoyl)-2-[(2,2-diphenylacetyl)amino]-3-(3-methylphenyl)propanamide Traditional Name: N-[2-amino-3-(tritylthio)propanoyl]-2-[(2,2-diphenylacetyl)amino]-3-(m-tolyl)propionamide Formula: C46H43N3O3S MolecularWeight: 717.91692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(C(=O)NC(=O)C(CSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N)NC(=O)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC(=CC=C1)CC(C(=O)NC(=O)C(CSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N)NC(=O)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C46H43N3O3S/c1-33-18-17-19-34(30-33)31-41(48-45(52)42(35-20-7-2-8-21-35)36-22-9-3-10-23-36)44(51)49-43(50)40(47)32-53-46(37-24-11-4-12-25-37,38-26-13-5-14-27-38)39-28-15-6-16-29-39/h2-30,40-42H,31-32,47H2,1H3,(H,48,52)(H,49,50,51)