4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[5-(1,1-dioxo-1,4-thiazinan-4-yl)pentyl]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoic acid;acetic acid;tert-butyl 4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-3a-(2-oxoethyl)-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;tert-butyl 4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]ethyl]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine

C143H219N5O15S3 — CID 159727172

About 4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[5-(1,1-dioxo-1,4-thiazinan-4-yl)pentyl]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoic acid;acetic acid;tert-butyl 4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-3a-(2-oxoethyl)-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;tert-butyl 4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]ethyl]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine

4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[5-(1,1-dioxo-1,4-thiazinan-4-yl)pentyl]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoic acid;acetic acid;tert-butyl 4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-3a-(2-oxoethyl)-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;tert-butyl 4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]ethyl]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine (PubChem CID 159727172) has the molecular formula C143H219N5O15S3 and a molecular weight of 2344.55 g/mol. Its IUPAC name is 4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[5-(1,1-dioxo-1,4-thiazinan-4-yl)pentyl]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoic acid;acetic acid;tert-butyl 4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-3a-(2-oxoethyl)-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;tert-butyl 4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]ethyl]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine.

Molecular Properties

• Compound Name: 4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[5-(1,1-dioxo-1,4-thiazinan-4-yl)pentyl]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoic acid;acetic acid;tert-butyl 4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-3a-(2-oxoethyl)-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;tert-butyl 4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]ethyl]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine
• PubChem CID: 159727172
• Molecular Formula: C143H219N5O15S3
• Molecular Weight: 2344.55 g/mol
• Exact Mass: 2342.57
• IUPAC Name: 4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[5-(1,1-dioxo-1,4-thiazinan-4-yl)pentyl]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoic acid;acetic acid;tert-butyl 4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-3a-(2-oxoethyl)-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;tert-butyl 4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]ethyl]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine
• SMILES: C=C(C)[C@@H]1CC[C@]2(CC=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)OC(C)(C)C)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12.C=C(C)[C@@H]1CC[C@]2(CCCCCN3CCS(=O)(=O)CC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12.C=C(C)[C@@H]1CC[C@]2(CCNCCN3CCS(=O)(=O)CC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)OC(C)(C)C)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12.CC(=O)O.NCCN1CCS(=O)(=O)CC1
• InChI: InChI=1S/C48H74N2O4S.C45H67NO4S.C42H60O3.C6H14N2O2S.C2H4O2/c1-33(2)36-17-22-48(25-26-49-27-28-50-29-31-55(52,53)32-30-50)24-23-46(9)38(41(36)48)15-16-40-45(8)20-18-37(44(6,7)39(45)19-21-47(40,46)10)34-11-13-35(14-12-34)42(51)54-43(3,4)5;1-31(2)34-17-23-45(20-9-8-10-26-46-27-29-51(49,50)30-28-46)25-24-43(6)36(39(34)45)15-16-38-42(5)21-18-35(32-11-13-33(14-12-32)40(47)48)41(3,4)37(42)19-22-44(38,43)7;1-27(2)30-17-22-42(25-26-43)24-23-40(9)32(35(30)42)15-16-34-39(8)20-18-31(38(6,7)33(39)19-21-41(34,40)10)28-11-13-29(14-12-28)36(44)45-37(3,4)5;7-1-2-8-3-5-11(9,10)6-4-8;1-2(3)4/h11-14,18,36,38-41,49H,1,15-17,19-32H2,2-10H3;11-14,18,34,36-39H,1,8-10,15-17,19-30H2,2-7H3,(H,47,48);11-14,18,26,30,32-35H,1,15-17,19-25H2,2-10H3;1-7H2;1H3,(H,3,4)/t36-,38+,39-,40+,41+,45-,46+,47+,48+;34-,36+,37-,38+,39+,42-,43+,44+,45+;30-,32+,33-,34+,35+,39-,40+,41+,42+;;/m000../s1
• InChIKey: YNMUYZGSKSULBE-ZZKISMFKSA-N
• XLogP: 29.98
• TPSA: 294.46 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 25
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2344.55
LogP ≤ 5	29.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[5-(1,1-dioxo-1,4-thiazinan-4-yl)pentyl]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoic acid;acetic acid;tert-butyl 4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-3a-(2-oxoethyl)-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;tert-butyl 4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]ethyl]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine?

The IUPAC name of 4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[5-(1,1-dioxo-1,4-thiazinan-4-yl)pentyl]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoic acid;acetic acid;tert-butyl 4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-3a-(2-oxoethyl)-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;tert-butyl 4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]ethyl]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine (CID 159727172) is 4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[5-(1,1-dioxo-1,4-thiazinan-4-yl)pentyl]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoic acid;acetic acid;tert-butyl 4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-3a-(2-oxoethyl)-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;tert-butyl 4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]ethyl]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine.

What is the SMILES notation for 4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[5-(1,1-dioxo-1,4-thiazinan-4-yl)pentyl]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoic acid;acetic acid;tert-butyl 4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-3a-(2-oxoethyl)-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;tert-butyl 4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]ethyl]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine?

The canonical SMILES for 4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[5-(1,1-dioxo-1,4-thiazinan-4-yl)pentyl]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoic acid;acetic acid;tert-butyl 4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-3a-(2-oxoethyl)-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;tert-butyl 4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]ethyl]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine is C=C(C)[C@@H]1CC[C@]2(CC=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)OC(C)(C)C)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12.C=C(C)[C@@H]1CC[C@]2(CCCCCN3CCS(=O)(=O)CC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12.C=C(C)[C@@H]1CC[C@]2(CCNCCN3CCS(=O)(=O)CC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)OC(C)(C)C)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12.CC(=O)O.NCCN1CCS(=O)(=O)CC1.

What is the InChIKey of 4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[5-(1,1-dioxo-1,4-thiazinan-4-yl)pentyl]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoic acid;acetic acid;tert-butyl 4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-3a-(2-oxoethyl)-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;tert-butyl 4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]ethyl]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine?

The InChIKey is YNMUYZGSKSULBE-ZZKISMFKSA-N. The full InChI is InChI=1S/C48H74N2O4S.C45H67NO4S.C42H60O3.C6H14N2O2S.C2H4O2/c1-33(2)36-17-22-48(25-26-49-27-28-50-29-31-55(52,53)32-30-50)24-23-46(9)38(41(36)48)15-16-40-45(8)20-18-37(44(6,7)39(45)19-21-47(40,46)10)34-11-13-35(14-12-34)42(51)54-43(3,4)5;1-31(2)34-17-23-45(20-9-8-10-26-46-27-29-51(49,50)30-28-46)25-24-43(6)36(39(34)45)15-16-38-42(5)21-18-35(32-11-13-33(14-12-32)40(47)48)41(3,4)37(42)19-22-44(38,43)7;1-27(2)30-17-22-42(25-26-43)24-23-40(9)32(35(30)42)15-16-34-39(8)20-18-31(38(6,7)33(39)19-21-41(34,40)10)28-11-13-29(14-12-28)36(44)45-37(3,4)5;7-1-2-8-3-5-11(9,10)6-4-8;1-2(3)4/h11-14,18,36,38-41,49H,1,15-17,19-32H2,2-10H3;11-14,18,34,36-39H,1,8-10,15-17,19-30H2,2-7H3,(H,47,48);11-14,18,26,30,32-35H,1,15-17,19-25H2,2-10H3;1-7H2;1H3,(H,3,4)/t36-,38+,39-,40+,41+,45-,46+,47+,48+;34-,36+,37-,38+,39+,42-,43+,44+,45+;30-,32+,33-,34+,35+,39-,40+,41+,42+;;/m000../s1.

What are the key properties of 4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[5-(1,1-dioxo-1,4-thiazinan-4-yl)pentyl]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoic acid;acetic acid;tert-butyl 4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-3a-(2-oxoethyl)-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;tert-butyl 4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]ethyl]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine?

4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[5-(1,1-dioxo-1,4-thiazinan-4-yl)pentyl]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoic acid;acetic acid;tert-butyl 4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-3a-(2-oxoethyl)-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;tert-butyl 4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]ethyl]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine has a molecular weight of 2344.55 g/mol, XLogP of 29.98, 25 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[5-(1,1-dioxo-1,4-thiazinan-4-yl)pentyl]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoic acid;acetic acid;tert-butyl 4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-3a-(2-oxoethyl)-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;tert-butyl 4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]ethyl]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoate;2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine is sourced from PubChem (CID 159727172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).