N-[(1S,2R,3S,4R)-4-[6-(2,2-diphenylethylamino)-2-[(3R)-3-[(4-sulfamoylphenyl)carbamoylamino]pyrrolidin-1-yl]purin-9-yl]-2,3-bis(oxidanyl)cyclopentyl]propanamide

Systemtic Name: N-[(1S,2R,3S,4R)-4-[6-(2,2-diphenylethylamino)-2-[(3R)-3-[(4-sulfamoylphenyl)carbamoylamino]pyrrolidin-1-yl]purin-9-yl]-2,3-bis(oxidanyl)cyclopentyl]propanamide Openeye Name: N-[(1S,2R,3S,4R)-4-[6-(2,2-diphenylethylamino)-2-[(3R)-3-[(4-sulfamoylphenyl)carbamoylamino]pyrrolidin-1-yl]purin-9-yl]-2,3-dihydroxy-cyclopentyl]propanamide CAS Name: N-[(1S,2R,3S,4R)-4-[6-(2,2-diphenylethylamino)-2-[(3R)-3-[[oxo-(4-sulfamoylanilino)methyl]amino]-1-pyrrolidinyl]-9-purinyl]-2,3-dihydroxycyclopentyl]propanamide IUPAC Name: N-[(1S,2R,3S,4R)-4-[6-(2,2-diphenylethylamino)-2-[(3R)-3-[(4-sulfamoylphenyl)carbamoylamino]pyrrolidin-1-yl]purin-9-yl]-2,3-dihydroxycyclopentyl]propanamide Traditional Name: N-[(1S,2R,3S,4R)-4-[6-(2,2-diphenylethylamino)-2-[(3R)-3-[(4-sulfamoylphenyl)carbamoylamino]pyrrolidino]purin-9-yl]-2,3-dihydroxy-cyclopentyl]propionamide Formula: C38H44N10O6S MolecularWeight: 768.88436

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1CC(C(C1O)O)N2C=NC3=C2N=C(N=C3NCC(C4=CC=CC=C4)C5=CC=CC=C5)N6CCC(C6)NC(=O)NC7=CC=C(C=C7)S(=O)(=O)N

Isomeric SMILES

CCC(=O)N[C@H]1C[C@H]([C@@H]([C@@H]1O)O)N2C=NC3=C2N=C(N=C3NCC(C4=CC=CC=C4)C5=CC=CC=C5)N6CC[C@H](C6)NC(=O)NC7=CC=C(C=C7)S(=O)(=O)N

InChI

InChI=1S/C38H44N10O6S/c1-2-31(49)44-29-19-30(34(51)33(29)50)48-22-41-32-35(40-20-28(23-9-5-3-6-10-23)24-11-7-4-8-12-24)45-37(46-36(32)48)47-18-17-26(21-47)43-38(52)42-25-13-15-27(16-14-25)55(39,53)54/h3-16,22,26,28-30,33-34,50-51H,2,17-21H2,1H3,(H,44,49)(H2,39,53,54)(H,40,45,46)(H2,42,43,52)/t26-,29+,30-,33-,34+/m1/s1