2-[[1-(2-azanyl-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[[1-[3-[5-[[(2S,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]-[(3R,4R,5R)-3-methoxy-5-(methylaminomethyl)-4-oxidanyl-oxolan-2-yl]oxy-methyl]-3-dodecyl-2,4-bis(oxidanylidene)imidazolidin-1-yl]propylamino]-4-methyl-3-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[[1-(2-azanyl-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[[1-[3-[5-[[(2S,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]-[(3R,4R,5R)-3-methoxy-5-(methylaminomethyl)-4-oxidanyl-oxolan-2-yl]oxy-methyl]-3-dodecyl-2,4-bis(oxidanylidene)imidazolidin-1-yl]propylamino]-4-methyl-3-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoylamino]-3-methyl-butanoic acid Openeye Name: 2-[[1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[[1-[3-[5-[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-[(3R,4R,5R)-4-hydroxy-3-methoxy-5-(methylaminomethyl)tetrahydrofuran-2-yl]oxy-methyl]-3-dodecyl-2,4-dioxo-imidazolidin-1-yl]propylcarbamoyl]-2-hydroxy-3-methyl-butyl]amino]-2-oxo-ethyl]carbamoylamino]-3-methyl-butanoic acid CAS Name: 2-[[[[1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[[1-[3-[5-[[(2S,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]-[[(3R,4R,5R)-4-hydroxy-3-methoxy-5-(methylaminomethyl)-2-oxolanyl]oxy]methyl]-3-dodecyl-2,4-dioxo-1-imidazolidinyl]propylamino]-3-hydroxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[[1-[3-[5-[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-[(3R,4R,5R)-4-hydroxy-3-methoxy-5-(methylaminomethyl)oxolan-2-yl]oxymethyl]-3-dodecyl-2,4-dioxoimidazolidin-1-yl]propylamino]-3-hydroxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]carbamoylamino]-3-methylbutanoic acid Traditional Name: 2-[[1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[[1-[3-[5-[[(2S,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-[(3R,4R,5R)-4-hydroxy-3-methoxy-5-(methylaminomethyl)tetrahydrofuran-2-yl]oxy-methyl]-2,4-diketo-3-lauryl-imidazolidin-1-yl]propylcarbamoyl]-2-hydroxy-3-methyl-butyl]amino]-2-keto-ethyl]carbamoylamino]-3-methyl-butyric acid Formula: C52H88N12O17 MolecularWeight: 1153.32532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=O)C(N(C1=O)CCCNC(=O)C(C(C(C)C)O)NC(=O)C(C2CCN=C(N2)N)NC(=O)NC(C(C)C)C(=O)O)C(C3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)OC5C(C(C(O5)CNC)O)OC

Isomeric SMILES

CCCCCCCCCCCCN1C(=O)C(N(C1=O)CCCNC(=O)C(C(C(C)C)O)NC(=O)C(C2CCN=C(N2)N)NC(=O)NC(C(C)C)C(=O)O)C([C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)OC5[C@@H]([C@@H]([C@H](O5)CNC)O)OC

InChI

InChI=1S/C52H88N12O17/c1-8-9-10-11-12-13-14-15-16-17-23-63-45(72)35(40(81-48-42(78-7)37(67)30(79-48)26-54-6)41-38(68)39(69)46(80-41)64-25-20-31(65)58-51(64)76)62(52(63)77)24-18-21-55-43(70)34(36(66)28(4)5)59-44(71)33(29-19-22-56-49(53)57-29)61-50(75)60-32(27(2)3)47(73)74/h20,25,27-30,32-42,46,48,54,66-69H,8-19,21-24,26H2,1-7H3,(H,55,70)(H,59,71)(H,73,74)(H3,53,56,57)(H,58,65,76)(H2,60,61,75)/t29?,30-,32?,33?,34?,35?,36?,37-,38+,39-,40?,41+,42-,46-,48?/m1/s1