4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-5a,5b,8,8,11a-pentamethyl-2-oxidanylidene-1-propan-2-yl-3a-(pyrimidin-4-ylcarbamoylamino)-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-5a,5b,8,8,11a-pentamethyl-2-oxidanylidene-1-propan-2-yl-3a-(pyrimidin-4-ylcarbamoylamino)-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-1-isopropyl-5a,5b,8,8,11a-pentamethyl-2-oxo-3a-(pyrimidin-4-ylcarbamoylamino)-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxo-butanoic acid CAS Name: 4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-5a,5b,8,8,11a-pentamethyl-2-oxo-3a-[[oxo-(4-pyrimidinylamino)methyl]amino]-1-propan-2-yl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxobutanoic acid IUPAC Name: 4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-3a-(pyrimidin-4-ylcarbamoylamino)-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxobutanoic acid Traditional Name: 4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-1-isopropyl-2-keto-5a,5b,8,8,11a-pentamethyl-3a-(4-pyrimidylcarbamoylamino)-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-4-keto-2,2-dimethyl-butyric acid Formula: C40H58N4O6 MolecularWeight: 690.91172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CC1=O)NC(=O)NC6=NC=NC=C6)C)C)(C)C)OC(=O)CC(C)(C)C(=O)O)C

Isomeric SMILES

CC(C)C1=C2[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC[C@]2(CC1=O)NC(=O)NC6=NC=NC=C6)C)C)(C)C)OC(=O)CC(C)(C)C(=O)O)C

InChI

InChI=1S/C40H58N4O6/c1-23(2)31-25(45)20-40(44-34(49)43-29-14-19-41-22-42-29)18-17-38(8)24(32(31)40)10-11-27-37(7)15-13-28(50-30(46)21-35(3,4)33(47)48)36(5,6)26(37)12-16-39(27,38)9/h14,19,22-24,26-28H,10-13,15-18,20-21H2,1-9H3,(H,47,48)(H2,41,42,43,44,49)/t24-,26+,27-,28+,37+,38-,39-,40-/m1/s1