pentanoyl 3-azanyl-4-ethyl-1-(1H-imidazol-5-yl)-5-methyl-2-[(3-pyridin-2-ylphenyl)sulfonylamino]-5-(triphenylmethyl)piperidine-2-carboxylate

Systemtic Name: pentanoyl 3-azanyl-4-ethyl-1-(1H-imidazol-5-yl)-5-methyl-2-[(3-pyridin-2-ylphenyl)sulfonylamino]-5-(triphenylmethyl)piperidine-2-carboxylate Openeye Name: pentanoyl 3-amino-4-ethyl-1-(1H-imidazol-5-yl)-5-methyl-2-[[3-(2-pyridyl)phenyl]sulfonylamino]-5-trityl-piperidine-2-carboxylate CAS Name: 3-amino-4-ethyl-1-(1H-imidazol-5-yl)-5-methyl-2-[[3-(2-pyridinyl)phenyl]sulfonylamino]-5-(triphenylmethyl)-2-piperidinecarboxylic acid 1-oxopentyl ester IUPAC Name: pentanoyl 3-amino-4-ethyl-1-(1H-imidazol-5-yl)-5-methyl-2-[(3-pyridin-2-ylphenyl)sulfonylamino]-5-tritylpiperidine-2-carboxylate Traditional Name: 3-amino-4-ethyl-1-(1H-imidazol-5-yl)-5-methyl-2-[[3-(2-pyridyl)phenyl]sulfonylamino]-5-trityl-pipecolinic acid valeryl ester Formula: C47H50N6O5S MolecularWeight: 811.0021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC(=O)C1(C(C(C(CN1C2=CN=CN2)(C)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)CC)N)NS(=O)(=O)C6=CC=CC(=C6)C7=CC=CC=N7

Isomeric SMILES

CCCCC(=O)OC(=O)C1(C(C(C(CN1C2=CN=CN2)(C)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)CC)N)NS(=O)(=O)C6=CC=CC(=C6)C7=CC=CC=N7

InChI

InChI=1S/C47H50N6O5S/c1-4-6-28-42(54)58-44(55)47(52-59(56,57)38-26-18-19-34(30-38)40-27-16-17-29-50-40)43(48)39(5-2)45(3,32-53(47)41-31-49-33-51-41)46(35-20-10-7-11-21-35,36-22-12-8-13-23-36)37-24-14-9-15-25-37/h7-27,29-31,33,39,43,52H,4-6,28,32,48H2,1-3H3,(H,49,51)