(E)-3-[1-[(2R,5R)-4-[[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]methyl]-5-ethyloxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[(5S)-5-[4-(2-methylpropyl)phenyl]-4-oxohexyl]prop-2-enamide;[(3R,5R)-1-[3-[(E)-[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxypropanoyl]-5-ethylpyrrolidin-3-yl] 4-oxohexanoate;3-[[(3R,5R)-1-[3-[(E)-[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxypropanoyl]-5-ethylpyrrolidin-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;[(2R,5R)-2-ethyl-5-[5-[(E)-3-[[(5S)-5-[4-(2-methylpropyl)phenyl]-4-oxohexyl]amino]-3-oxoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] 4-(methylamino)-4-oxobutanoate

C160H249N15O23P2 — CID 172947132

About (E)-3-[1-[(2R,5R)-4-[[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]methyl]-5-ethyloxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[(5S)-5-[4-(2-methylpropyl)phenyl]-4-oxohexyl]prop-2-enamide;[(3R,5R)-1-[3-[(E)-[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxypropanoyl]-5-ethylpyrrolidin-3-yl] 4-oxohexanoate;3-[[(3R,5R)-1-[3-[(E)-[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxypropanoyl]-5-ethylpyrrolidin-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;[(2R,5R)-2-ethyl-5-[5-[(E)-3-[[(5S)-5-[4-(2-methylpropyl)phenyl]-4-oxohexyl]amino]-3-oxoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] 4-(methylamino)-4-oxobutanoate

(E)-3-[1-[(2R,5R)-4-[[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]methyl]-5-ethyloxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[(5S)-5-[4-(2-methylpropyl)phenyl]-4-oxohexyl]prop-2-enamide;[(3R,5R)-1-[3-[(E)-[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxypropanoyl]-5-ethylpyrrolidin-3-yl] 4-oxohexanoate;3-[[(3R,5R)-1-[3-[(E)-[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxypropanoyl]-5-ethylpyrrolidin-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;[(2R,5R)-2-ethyl-5-[5-[(E)-3-[[(5S)-5-[4-(2-methylpropyl)phenyl]-4-oxohexyl]amino]-3-oxoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] 4-(methylamino)-4-oxobutanoate (PubChem CID 172947132) has the molecular formula C160H249N15O23P2 and a molecular weight of 2812.78 g/mol. Its IUPAC name is (E)-3-[1-[(2R,5R)-4-[[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]methyl]-5-ethyloxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[(5S)-5-[4-(2-methylpropyl)phenyl]-4-oxohexyl]prop-2-enamide;[(3R,5R)-1-[3-[(E)-[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxypropanoyl]-5-ethylpyrrolidin-3-yl] 4-oxohexanoate;3-[[(3R,5R)-1-[3-[(E)-[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxypropanoyl]-5-ethylpyrrolidin-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;[(2R,5R)-2-ethyl-5-[5-[(E)-3-[[(5S)-5-[4-(2-methylpropyl)phenyl]-4-oxohexyl]amino]-3-oxoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] 4-(methylamino)-4-oxobutanoate.

Molecular Properties

• Compound Name: (E)-3-[1-[(2R,5R)-4-[[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]methyl]-5-ethyloxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[(5S)-5-[4-(2-methylpropyl)phenyl]-4-oxohexyl]prop-2-enamide;[(3R,5R)-1-[3-[(E)-[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxypropanoyl]-5-ethylpyrrolidin-3-yl] 4-oxohexanoate;3-[[(3R,5R)-1-[3-[(E)-[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxypropanoyl]-5-ethylpyrrolidin-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;[(2R,5R)-2-ethyl-5-[5-[(E)-3-[[(5S)-5-[4-(2-methylpropyl)phenyl]-4-oxohexyl]amino]-3-oxoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] 4-(methylamino)-4-oxobutanoate
• PubChem CID: 172947132
• Molecular Formula: C160H249N15O23P2
• Molecular Weight: 2812.78 g/mol
• Exact Mass: 2810.83
• IUPAC Name: (E)-3-[1-[(2R,5R)-4-[[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]methyl]-5-ethyloxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[(5S)-5-[4-(2-methylpropyl)phenyl]-4-oxohexyl]prop-2-enamide;[(3R,5R)-1-[3-[(E)-[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxypropanoyl]-5-ethylpyrrolidin-3-yl] 4-oxohexanoate;3-[[(3R,5R)-1-[3-[(E)-[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxypropanoyl]-5-ethylpyrrolidin-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;[(2R,5R)-2-ethyl-5-[5-[(E)-3-[[(5S)-5-[4-(2-methylpropyl)phenyl]-4-oxohexyl]amino]-3-oxoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] 4-(methylamino)-4-oxobutanoate
• SMILES: CCC(=O)CCC(=O)O[C@@H]1C[C@@H](CC)N(C(=O)CCO/N=C2\CC[C@@]3(C)C(=CCC4C3CC[C@@]3(C)C4CC[C@@H]3[C@H](C)CCCC(C)C)C2)C1.CC[C@@H]1C[C@@H](OP(OCCC#N)N(C(C)C)C(C)C)CN1C(=O)CCO/N=C1\CC[C@@]2(C)C(=CCC3C2CC[C@@]2(C)C3CC[C@@H]2[C@H](C)CCCC(C)C)C1.CC[C@H]1O[C@@H](n2cc(/C=C/C(=O)NCCCC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c(=O)[nH]c2=O)CC1CP(OCCC#N)N(C(C)C)C(C)C.CC[C@H]1O[C@@H](n2cc(/C=C/C(=O)NCCCC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c(=O)[nH]c2=O)CC1OC(=O)CCC(=O)NC
• InChI: InChI=1S/C45H77N4O4P.C42H68N2O5.C39H58N5O6P.C34H46N4O8/c1-11-37-29-38(53-54(52-26-13-25-46)49(32(4)5)33(6)7)30-48(37)43(50)22-27-51-47-36-20-23-44(9)35(28-36)16-17-39-41-19-18-40(34(8)15-12-14-31(2)3)45(41,10)24-21-42(39)44;1-8-32-26-34(49-40(47)18-14-33(45)9-2)27-44(32)39(46)21-24-48-43-31-19-22-41(6)30(25-31)13-15-35-37-17-16-36(29(5)12-10-11-28(3)4)42(37,7)23-20-38(35)41;1-9-35-33(25-51(49-21-11-19-40)44(27(4)5)28(6)7)23-37(50-35)43-24-32(38(47)42-39(43)48)17-18-36(46)41-20-10-12-34(45)29(8)31-15-13-30(14-16-31)22-26(2)3;1-6-27-28(46-32(42)16-15-29(40)35-5)19-31(45-27)38-20-25(33(43)37-34(38)44)13-14-30(41)36-17-7-8-26(39)22(4)24-11-9-23(10-12-24)18-21(2)3/h16,31-34,37-42H,11-15,17-24,26-30H2,1-10H3;13,28-29,32,34-38H,8-12,14-27H2,1-7H3;13-18,24,26-29,33,35,37H,9-12,20-23,25H2,1-8H3,(H,41,46)(H,42,47,48);9-14,20-22,27-28,31H,6-8,15-19H2,1-5H3,(H,35,40)(H,36,41)(H,37,43,44)/b47-36+;43-31+;18-17+;14-13+/t34-,37-,38-,39?,40-,41?,42?,44+,45-,54?;29-,32-,34-,35?,36-,37?,38?,41+,42-;29-,33?,35+,37+,51?;22-,27+,28?,31+/m1100/s1
• InChIKey: PKAFPWHMBYILJR-IHRSDFKOSA-N
• XLogP: 30.78
• TPSA: 484.84 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 69
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2812.78
LogP ≤ 5	30.78
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-3-[1-[(2R,5R)-4-[[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]methyl]-5-ethyloxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[(5S)-5-[4-(2-methylpropyl)phenyl]-4-oxohexyl]prop-2-enamide;[(3R,5R)-1-[3-[(E)-[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxypropanoyl]-5-ethylpyrrolidin-3-yl] 4-oxohexanoate;3-[[(3R,5R)-1-[3-[(E)-[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxypropanoyl]-5-ethylpyrrolidin-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;[(2R,5R)-2-ethyl-5-[5-[(E)-3-[[(5S)-5-[4-(2-methylpropyl)phenyl]-4-oxohexyl]amino]-3-oxoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] 4-(methylamino)-4-oxobutanoate?

The IUPAC name of (E)-3-[1-[(2R,5R)-4-[[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]methyl]-5-ethyloxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[(5S)-5-[4-(2-methylpropyl)phenyl]-4-oxohexyl]prop-2-enamide;[(3R,5R)-1-[3-[(E)-[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxypropanoyl]-5-ethylpyrrolidin-3-yl] 4-oxohexanoate;3-[[(3R,5R)-1-[3-[(E)-[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxypropanoyl]-5-ethylpyrrolidin-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;[(2R,5R)-2-ethyl-5-[5-[(E)-3-[[(5S)-5-[4-(2-methylpropyl)phenyl]-4-oxohexyl]amino]-3-oxoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] 4-(methylamino)-4-oxobutanoate (CID 172947132) is (E)-3-[1-[(2R,5R)-4-[[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]methyl]-5-ethyloxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[(5S)-5-[4-(2-methylpropyl)phenyl]-4-oxohexyl]prop-2-enamide;[(3R,5R)-1-[3-[(E)-[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxypropanoyl]-5-ethylpyrrolidin-3-yl] 4-oxohexanoate;3-[[(3R,5R)-1-[3-[(E)-[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxypropanoyl]-5-ethylpyrrolidin-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;[(2R,5R)-2-ethyl-5-[5-[(E)-3-[[(5S)-5-[4-(2-methylpropyl)phenyl]-4-oxohexyl]amino]-3-oxoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] 4-(methylamino)-4-oxobutanoate.

What is the SMILES notation for (E)-3-[1-[(2R,5R)-4-[[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]methyl]-5-ethyloxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[(5S)-5-[4-(2-methylpropyl)phenyl]-4-oxohexyl]prop-2-enamide;[(3R,5R)-1-[3-[(E)-[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxypropanoyl]-5-ethylpyrrolidin-3-yl] 4-oxohexanoate;3-[[(3R,5R)-1-[3-[(E)-[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxypropanoyl]-5-ethylpyrrolidin-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;[(2R,5R)-2-ethyl-5-[5-[(E)-3-[[(5S)-5-[4-(2-methylpropyl)phenyl]-4-oxohexyl]amino]-3-oxoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] 4-(methylamino)-4-oxobutanoate?

The canonical SMILES for (E)-3-[1-[(2R,5R)-4-[[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]methyl]-5-ethyloxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[(5S)-5-[4-(2-methylpropyl)phenyl]-4-oxohexyl]prop-2-enamide;[(3R,5R)-1-[3-[(E)-[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxypropanoyl]-5-ethylpyrrolidin-3-yl] 4-oxohexanoate;3-[[(3R,5R)-1-[3-[(E)-[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxypropanoyl]-5-ethylpyrrolidin-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;[(2R,5R)-2-ethyl-5-[5-[(E)-3-[[(5S)-5-[4-(2-methylpropyl)phenyl]-4-oxohexyl]amino]-3-oxoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] 4-(methylamino)-4-oxobutanoate is CCC(=O)CCC(=O)O[C@@H]1C[C@@H](CC)N(C(=O)CCO/N=C2\CC[C@@]3(C)C(=CCC4C3CC[C@@]3(C)C4CC[C@@H]3[C@H](C)CCCC(C)C)C2)C1.CC[C@@H]1C[C@@H](OP(OCCC#N)N(C(C)C)C(C)C)CN1C(=O)CCO/N=C1\CC[C@@]2(C)C(=CCC3C2CC[C@@]2(C)C3CC[C@@H]2[C@H](C)CCCC(C)C)C1.CC[C@H]1O[C@@H](n2cc(/C=C/C(=O)NCCCC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c(=O)[nH]c2=O)CC1CP(OCCC#N)N(C(C)C)C(C)C.CC[C@H]1O[C@@H](n2cc(/C=C/C(=O)NCCCC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c(=O)[nH]c2=O)CC1OC(=O)CCC(=O)NC.

What is the InChIKey of (E)-3-[1-[(2R,5R)-4-[[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]methyl]-5-ethyloxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[(5S)-5-[4-(2-methylpropyl)phenyl]-4-oxohexyl]prop-2-enamide;[(3R,5R)-1-[3-[(E)-[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxypropanoyl]-5-ethylpyrrolidin-3-yl] 4-oxohexanoate;3-[[(3R,5R)-1-[3-[(E)-[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxypropanoyl]-5-ethylpyrrolidin-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;[(2R,5R)-2-ethyl-5-[5-[(E)-3-[[(5S)-5-[4-(2-methylpropyl)phenyl]-4-oxohexyl]amino]-3-oxoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] 4-(methylamino)-4-oxobutanoate?

The InChIKey is PKAFPWHMBYILJR-IHRSDFKOSA-N. The full InChI is InChI=1S/C45H77N4O4P.C42H68N2O5.C39H58N5O6P.C34H46N4O8/c1-11-37-29-38(53-54(52-26-13-25-46)49(32(4)5)33(6)7)30-48(37)43(50)22-27-51-47-36-20-23-44(9)35(28-36)16-17-39-41-19-18-40(34(8)15-12-14-31(2)3)45(41,10)24-21-42(39)44;1-8-32-26-34(49-40(47)18-14-33(45)9-2)27-44(32)39(46)21-24-48-43-31-19-22-41(6)30(25-31)13-15-35-37-17-16-36(29(5)12-10-11-28(3)4)42(37,7)23-20-38(35)41;1-9-35-33(25-51(49-21-11-19-40)44(27(4)5)28(6)7)23-37(50-35)43-24-32(38(47)42-39(43)48)17-18-36(46)41-20-10-12-34(45)29(8)31-15-13-30(14-16-31)22-26(2)3;1-6-27-28(46-32(42)16-15-29(40)35-5)19-31(45-27)38-20-25(33(43)37-34(38)44)13-14-30(41)36-17-7-8-26(39)22(4)24-11-9-23(10-12-24)18-21(2)3/h16,31-34,37-42H,11-15,17-24,26-30H2,1-10H3;13,28-29,32,34-38H,8-12,14-27H2,1-7H3;13-18,24,26-29,33,35,37H,9-12,20-23,25H2,1-8H3,(H,41,46)(H,42,47,48);9-14,20-22,27-28,31H,6-8,15-19H2,1-5H3,(H,35,40)(H,36,41)(H,37,43,44)/b47-36+;43-31+;18-17+;14-13+/t34-,37-,38-,39?,40-,41?,42?,44+,45-,54?;29-,32-,34-,35?,36-,37?,38?,41+,42-;29-,33?,35+,37+,51?;22-,27+,28?,31+/m1100/s1.

What are the key properties of (E)-3-[1-[(2R,5R)-4-[[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]methyl]-5-ethyloxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[(5S)-5-[4-(2-methylpropyl)phenyl]-4-oxohexyl]prop-2-enamide;[(3R,5R)-1-[3-[(E)-[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxypropanoyl]-5-ethylpyrrolidin-3-yl] 4-oxohexanoate;3-[[(3R,5R)-1-[3-[(E)-[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxypropanoyl]-5-ethylpyrrolidin-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;[(2R,5R)-2-ethyl-5-[5-[(E)-3-[[(5S)-5-[4-(2-methylpropyl)phenyl]-4-oxohexyl]amino]-3-oxoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] 4-(methylamino)-4-oxobutanoate?

(E)-3-[1-[(2R,5R)-4-[[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]methyl]-5-ethyloxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[(5S)-5-[4-(2-methylpropyl)phenyl]-4-oxohexyl]prop-2-enamide;[(3R,5R)-1-[3-[(E)-[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxypropanoyl]-5-ethylpyrrolidin-3-yl] 4-oxohexanoate;3-[[(3R,5R)-1-[3-[(E)-[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxypropanoyl]-5-ethylpyrrolidin-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;[(2R,5R)-2-ethyl-5-[5-[(E)-3-[[(5S)-5-[4-(2-methylpropyl)phenyl]-4-oxohexyl]amino]-3-oxoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] 4-(methylamino)-4-oxobutanoate has a molecular weight of 2812.78 g/mol, XLogP of 30.78, 69 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-[1-[(2R,5R)-4-[[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]methyl]-5-ethyloxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[(5S)-5-[4-(2-methylpropyl)phenyl]-4-oxohexyl]prop-2-enamide;[(3R,5R)-1-[3-[(E)-[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxypropanoyl]-5-ethylpyrrolidin-3-yl] 4-oxohexanoate;3-[[(3R,5R)-1-[3-[(E)-[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxypropanoyl]-5-ethylpyrrolidin-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;[(2R,5R)-2-ethyl-5-[5-[(E)-3-[[(5S)-5-[4-(2-methylpropyl)phenyl]-4-oxohexyl]amino]-3-oxoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] 4-(methylamino)-4-oxobutanoate is sourced from PubChem (CID 172947132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).