[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-[(5-cyclobutyloxy-2-pyridinyl)sulfonyl]carbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-cyclopropyloxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-methoxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-[[5-(1-methylcyclopropyl)oxy-2-pyridinyl]sulfonyl]carbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-propan-2-yloxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-propoxypyrimidin-5-yl)sulfonylcarbamate

C194H302N16O42S6 — CID 160554413

About [(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-[(5-cyclobutyloxy-2-pyridinyl)sulfonyl]carbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-cyclopropyloxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-methoxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-[[5-(1-methylcyclopropyl)oxy-2-pyridinyl]sulfonyl]carbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-propan-2-yloxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-propoxypyrimidin-5-yl)sulfonylcarbamate

[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-[(5-cyclobutyloxy-2-pyridinyl)sulfonyl]carbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-cyclopropyloxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-methoxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-[[5-(1-methylcyclopropyl)oxy-2-pyridinyl]sulfonyl]carbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-propan-2-yloxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-propoxypyrimidin-5-yl)sulfonylcarbamate (PubChem CID 160554413) has the molecular formula C194H302N16O42S6 and a molecular weight of 3723.02 g/mol. Its IUPAC name is [(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-[(5-cyclobutyloxy-2-pyridinyl)sulfonyl]carbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-cyclopropyloxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-methoxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-[[5-(1-methylcyclopropyl)oxy-2-pyridinyl]sulfonyl]carbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-propan-2-yloxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-propoxypyrimidin-5-yl)sulfonylcarbamate.

Molecular Properties

• Compound Name: [(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-[(5-cyclobutyloxy-2-pyridinyl)sulfonyl]carbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-cyclopropyloxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-methoxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-[[5-(1-methylcyclopropyl)oxy-2-pyridinyl]sulfonyl]carbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-propan-2-yloxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-propoxypyrimidin-5-yl)sulfonylcarbamate
• PubChem CID: 160554413
• Molecular Formula: C194H302N16O42S6
• Molecular Weight: 3723.02 g/mol
• Exact Mass: 3720.03
• IUPAC Name: [(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-[(5-cyclobutyloxy-2-pyridinyl)sulfonyl]carbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-cyclopropyloxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-methoxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-[[5-(1-methylcyclopropyl)oxy-2-pyridinyl]sulfonyl]carbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-propan-2-yloxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-propoxypyrimidin-5-yl)sulfonylcarbamate
• SMILES: CCCOc1ncc(S(=O)(=O)NC(=O)OC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)[C@H](CC)[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)cn1.CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4ccc(OC5(C)CC5)cn4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12.CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4ccc(OC5CCC5)cn4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12.CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4cnc(OC(C)C)nc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12.CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4cnc(OC)nc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12.CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4cnc(OC5CC5)nc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12
• InChI: InChI=1S/2C34H52N2O7S.C32H49N3O7S.2C32H51N3O7S.C30H47N3O7S/c1-6-23-27-17-21(37)11-13-34(27,5)26-12-14-33(4)24(8-9-25(33)29(26)30(23)38)20(2)19-42-31(39)36-44(40,41)28-10-7-22(18-35-28)43-32(3)15-16-32;1-5-24-28-17-21(37)13-15-34(28,4)27-14-16-33(3)25(10-11-26(33)30(27)31(24)38)20(2)19-42-32(39)36-44(40,41)29-12-9-23(18-35-29)43-22-7-6-8-22;1-5-22-26-14-19(36)10-12-32(26,4)25-11-13-31(3)23(8-9-24(31)27(25)28(22)37)18(2)17-41-30(38)35-43(39,40)21-15-33-29(34-16-21)42-20-6-7-20;1-7-22-26-14-20(36)10-12-32(26,6)25-11-13-31(5)23(8-9-24(31)27(25)28(22)37)19(4)17-41-30(38)35-43(39,40)21-15-33-29(34-16-21)42-18(2)3;1-6-14-41-29-33-16-21(17-34-29)43(39,40)35-30(38)42-18-19(3)23-8-9-24-27-25(11-13-31(23,24)4)32(5)12-10-20(36)15-26(32)22(7-2)28(27)37;1-6-20-24-13-18(34)9-11-30(24,4)23-10-12-29(3)21(7-8-22(29)25(23)26(20)35)17(2)16-40-28(36)33-41(37,38)19-14-31-27(39-5)32-15-19/h7,10,18,20-21,23-27,29-30,37-38H,6,8-9,11-17,19H2,1-5H3,(H,36,39);9,12,18,20-22,24-28,30-31,37-38H,5-8,10-11,13-17,19H2,1-4H3,(H,36,39);15-16,18-20,22-28,36-37H,5-14,17H2,1-4H3,(H,35,38);15-16,18-20,22-28,36-37H,7-14,17H2,1-6H3,(H,35,38);16-17,19-20,22-28,36-37H,6-15,18H2,1-5H3,(H,35,38);14-15,17-18,20-26,34-35H,6-13,16H2,1-5H3,(H,33,36)/t20-,21-,23-,24-,25+,26+,27+,29+,30-,33-,34-;20-,21-,24-,25-,26+,27+,28+,30+,31-,33-,34-;18-,19-,22-,23-,24+,25+,26+,27+,28-,31-,32-;2*19-,20-,22-,23-,24+,25+,26+,27+,28-,31-,32-;17-,18-,20-,21-,22+,23+,24+,25+,26-,29-,30-/m111111/s1
• InChIKey: QYMLDGMAQJMCQI-CXZWTYQVSA-N
• XLogP: 30.12
• TPSA: 861.86 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 52
• Rotatable Bonds: 48
• Heavy Atoms: 258
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3723.02
LogP ≤ 5	30.12
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	52

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-[(5-cyclobutyloxy-2-pyridinyl)sulfonyl]carbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-cyclopropyloxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-methoxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-[[5-(1-methylcyclopropyl)oxy-2-pyridinyl]sulfonyl]carbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-propan-2-yloxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-propoxypyrimidin-5-yl)sulfonylcarbamate?

The IUPAC name of [(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-[(5-cyclobutyloxy-2-pyridinyl)sulfonyl]carbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-cyclopropyloxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-methoxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-[[5-(1-methylcyclopropyl)oxy-2-pyridinyl]sulfonyl]carbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-propan-2-yloxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-propoxypyrimidin-5-yl)sulfonylcarbamate (CID 160554413) is [(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-[(5-cyclobutyloxy-2-pyridinyl)sulfonyl]carbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-cyclopropyloxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-methoxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-[[5-(1-methylcyclopropyl)oxy-2-pyridinyl]sulfonyl]carbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-propan-2-yloxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-propoxypyrimidin-5-yl)sulfonylcarbamate.

What is the SMILES notation for [(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-[(5-cyclobutyloxy-2-pyridinyl)sulfonyl]carbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-cyclopropyloxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-methoxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-[[5-(1-methylcyclopropyl)oxy-2-pyridinyl]sulfonyl]carbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-propan-2-yloxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-propoxypyrimidin-5-yl)sulfonylcarbamate?

The canonical SMILES for [(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-[(5-cyclobutyloxy-2-pyridinyl)sulfonyl]carbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-cyclopropyloxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-methoxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-[[5-(1-methylcyclopropyl)oxy-2-pyridinyl]sulfonyl]carbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-propan-2-yloxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-propoxypyrimidin-5-yl)sulfonylcarbamate is CCCOc1ncc(S(=O)(=O)NC(=O)OC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)[C@H](CC)[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)cn1.CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4ccc(OC5(C)CC5)cn4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12.CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4ccc(OC5CCC5)cn4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12.CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4cnc(OC(C)C)nc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12.CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4cnc(OC)nc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12.CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)COC(=O)NS(=O)(=O)c4cnc(OC5CC5)nc4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12.

What is the InChIKey of [(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-[(5-cyclobutyloxy-2-pyridinyl)sulfonyl]carbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-cyclopropyloxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-methoxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-[[5-(1-methylcyclopropyl)oxy-2-pyridinyl]sulfonyl]carbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-propan-2-yloxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-propoxypyrimidin-5-yl)sulfonylcarbamate?

The InChIKey is QYMLDGMAQJMCQI-CXZWTYQVSA-N. The full InChI is InChI=1S/2C34H52N2O7S.C32H49N3O7S.2C32H51N3O7S.C30H47N3O7S/c1-6-23-27-17-21(37)11-13-34(27,5)26-12-14-33(4)24(8-9-25(33)29(26)30(23)38)20(2)19-42-31(39)36-44(40,41)28-10-7-22(18-35-28)43-32(3)15-16-32;1-5-24-28-17-21(37)13-15-34(28,4)27-14-16-33(3)25(10-11-26(33)30(27)31(24)38)20(2)19-42-32(39)36-44(40,41)29-12-9-23(18-35-29)43-22-7-6-8-22;1-5-22-26-14-19(36)10-12-32(26,4)25-11-13-31(3)23(8-9-24(31)27(25)28(22)37)18(2)17-41-30(38)35-43(39,40)21-15-33-29(34-16-21)42-20-6-7-20;1-7-22-26-14-20(36)10-12-32(26,6)25-11-13-31(5)23(8-9-24(31)27(25)28(22)37)19(4)17-41-30(38)35-43(39,40)21-15-33-29(34-16-21)42-18(2)3;1-6-14-41-29-33-16-21(17-34-29)43(39,40)35-30(38)42-18-19(3)23-8-9-24-27-25(11-13-31(23,24)4)32(5)12-10-20(36)15-26(32)22(7-2)28(27)37;1-6-20-24-13-18(34)9-11-30(24,4)23-10-12-29(3)21(7-8-22(29)25(23)26(20)35)17(2)16-40-28(36)33-41(37,38)19-14-31-27(39-5)32-15-19/h7,10,18,20-21,23-27,29-30,37-38H,6,8-9,11-17,19H2,1-5H3,(H,36,39);9,12,18,20-22,24-28,30-31,37-38H,5-8,10-11,13-17,19H2,1-4H3,(H,36,39);15-16,18-20,22-28,36-37H,5-14,17H2,1-4H3,(H,35,38);15-16,18-20,22-28,36-37H,7-14,17H2,1-6H3,(H,35,38);16-17,19-20,22-28,36-37H,6-15,18H2,1-5H3,(H,35,38);14-15,17-18,20-26,34-35H,6-13,16H2,1-5H3,(H,33,36)/t20-,21-,23-,24-,25+,26+,27+,29+,30-,33-,34-;20-,21-,24-,25-,26+,27+,28+,30+,31-,33-,34-;18-,19-,22-,23-,24+,25+,26+,27+,28-,31-,32-;2*19-,20-,22-,23-,24+,25+,26+,27+,28-,31-,32-;17-,18-,20-,21-,22+,23+,24+,25+,26-,29-,30-/m111111/s1.

What are the key properties of [(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-[(5-cyclobutyloxy-2-pyridinyl)sulfonyl]carbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-cyclopropyloxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-methoxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-[[5-(1-methylcyclopropyl)oxy-2-pyridinyl]sulfonyl]carbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-propan-2-yloxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-propoxypyrimidin-5-yl)sulfonylcarbamate?

[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-[(5-cyclobutyloxy-2-pyridinyl)sulfonyl]carbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-cyclopropyloxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-methoxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-[[5-(1-methylcyclopropyl)oxy-2-pyridinyl]sulfonyl]carbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-propan-2-yloxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-propoxypyrimidin-5-yl)sulfonylcarbamate has a molecular weight of 3723.02 g/mol, XLogP of 30.12, 48 rotatable bonds, 18 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-[(5-cyclobutyloxy-2-pyridinyl)sulfonyl]carbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-cyclopropyloxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-methoxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-[[5-(1-methylcyclopropyl)oxy-2-pyridinyl]sulfonyl]carbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-propan-2-yloxypyrimidin-5-yl)sulfonylcarbamate;[(2S)-2-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] N-(2-propoxypyrimidin-5-yl)sulfonylcarbamate is sourced from PubChem (CID 160554413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).