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

Systemtic Name: N-[(1S,2R,3S)-4-[6-(2,2-diphenylpropylamino)-2-[(3R)-3-[[(3S)-pyrrolidin-3-yl]carbamoylamino]pyrrolidin-1-yl]purin-9-yl]-2,3-bis(oxidanyl)cyclopentyl]propanamide Openeye Name: N-[(1S,2R,3S)-4-[6-(2,2-diphenylpropylamino)-2-[(3R)-3-[[(3S)-pyrrolidin-3-yl]carbamoylamino]pyrrolidin-1-yl]purin-9-yl]-2,3-dihydroxy-cyclopentyl]propanamide CAS Name: N-[(1S,2R,3S)-4-[6-(2,2-diphenylpropylamino)-2-[(3R)-3-[[oxo-[[(3S)-3-pyrrolidinyl]amino]methyl]amino]-1-pyrrolidinyl]-9-purinyl]-2,3-dihydroxycyclopentyl]propanamide IUPAC Name: N-[(1S,2R,3S)-4-[6-(2,2-diphenylpropylamino)-2-[(3R)-3-[[(3S)-pyrrolidin-3-yl]carbamoylamino]pyrrolidin-1-yl]purin-9-yl]-2,3-dihydroxycyclopentyl]propanamide Traditional Name: N-[(1S,2R,3S)-4-[6-(2,2-diphenylpropylamino)-2-[(3R)-3-[[(3S)-pyrrolidin-3-yl]carbamoylamino]pyrrolidino]purin-9-yl]-2,3-dihydroxy-cyclopentyl]propionamide Formula: C37H48N10O4 MolecularWeight: 696.84162

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1CC(C(C1O)O)N2C=NC3=C2N=C(N=C3NCC(C)(C4=CC=CC=C4)C5=CC=CC=C5)N6CCC(C6)NC(=O)NC7CCNC7

Isomeric SMILES

CCC(=O)N[C@H]1CC([C@@H]([C@@H]1O)O)N2C=NC3=C2N=C(N=C3NCC(C)(C4=CC=CC=C4)C5=CC=CC=C5)N6CC[C@H](C6)NC(=O)N[C@H]7CCNC7

InChI

InChI=1S/C37H48N10O4/c1-3-29(48)43-27-18-28(32(50)31(27)49)47-22-40-30-33(39-21-37(2,23-10-6-4-7-11-23)24-12-8-5-9-13-24)44-35(45-34(30)47)46-17-15-26(20-46)42-36(51)41-25-14-16-38-19-25/h4-13,22,25-28,31-32,38,49-50H,3,14-21H2,1-2H3,(H,43,48)(H,39,44,45)(H2,41,42,51)/t25-,26+,27-,28?,31+,32-/m0/s1