[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid; 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-3-oxidanyl-1,6-diphenyl-hexan-2-yl]carbamate

Systemtic Name: [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid; 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-3-oxidanyl-1,6-diphenyl-hexan-2-yl]carbamate Openeye Name: [(1R)-2-(6-aminopurin-9-yl)-1-methyl-ethoxy]methylphosphonic acid; thiazol-5-ylmethyl N-[(1S,2S,4S)-1-benzyl-2-hydroxy-4-[[(2S)-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-5-phenyl-pentyl]carbamate CAS Name: [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid; N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[[methyl-[(2-propan-2-yl-4-thiazolyl)methyl]amino]-oxomethyl]amino]-1-oxobutyl]amino]-1,6-diphenylhexan-2-yl]carbamic acid 5-thiazolylmethyl ester IUPAC Name: [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid; 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate Traditional Name: [(1R)-2-adenin-9-yl-1-methyl-ethoxy]methylphosphonic acid; N-[(1S,2S,4S)-1-benzyl-2-hydroxy-4-[[(2S)-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-5-phenyl-pentyl]carbamic acid thiazol-5-ylmethyl ester Formula: C46H62N11O9PS2 MolecularWeight: 1008.156541

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O.CC(CN1C=NC2=C1N=CN=C2N)OCP(=O)(O)O

Isomeric SMILES

C[C@H](CN1C=NC2=C1N=CN=C2N)OCP(=O)(O)O.CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O

InChI

InChI=1S/C37H48N6O5S2.C9H14N5O4P/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30;1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46);3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17)/t28-,31-,32-,33-;6-/m01/s1