2-aminoethanethiol;(4R)-N-[2-(tert-butyldisulfanyl)ethyl]-4-[(3R,17R)-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide;(4R)-N-[2-(tert-butyldisulfanyl)ethyl]-4-[(3R,17R)-3-hydroxy-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;N'-cyclohexyl-N-cyclohexylmethanimidamide;N,N-diethylethanamine;(4R)-4-[(10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid;2-methylpropan-2-yl N-tert-butylsulfanyl-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate;2-methyl-2-(propyldisulfanyl)propane;molecular hydrogen;2,3,4,5,6-pentafluorophenol;(2,3,4,5,6-pentafluorophenyl) (4R)-4-[(10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;hydrochloride

C176H320Cl2F10N12O17P2S8+2 — CID 162185652

About 2-aminoethanethiol;(4R)-N-[2-(tert-butyldisulfanyl)ethyl]-4-[(3R,17R)-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide;(4R)-N-[2-(tert-butyldisulfanyl)ethyl]-4-[(3R,17R)-3-hydroxy-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;N'-cyclohexyl-N-cyclohexylmethanimidamide;N,N-diethylethanamine;(4R)-4-[(10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid;2-methylpropan-2-yl N-tert-butylsulfanyl-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate;2-methyl-2-(propyldisulfanyl)propane;molecular hydrogen;2,3,4,5,6-pentafluorophenol;(2,3,4,5,6-pentafluorophenyl) (4R)-4-[(10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;hydrochloride

2-aminoethanethiol;(4R)-N-[2-(tert-butyldisulfanyl)ethyl]-4-[(3R,17R)-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide;(4R)-N-[2-(tert-butyldisulfanyl)ethyl]-4-[(3R,17R)-3-hydroxy-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;N'-cyclohexyl-N-cyclohexylmethanimidamide;N,N-diethylethanamine;(4R)-4-[(10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid;2-methylpropan-2-yl N-tert-butylsulfanyl-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate;2-methyl-2-(propyldisulfanyl)propane;molecular hydrogen;2,3,4,5,6-pentafluorophenol;(2,3,4,5,6-pentafluorophenyl) (4R)-4-[(10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;hydrochloride (PubChem CID 162185652) has the molecular formula C176H320Cl2F10N12O17P2S8+2 and a molecular weight of 3455.93 g/mol. Its IUPAC name is 2-aminoethanethiol;(4R)-N-[2-(tert-butyldisulfanyl)ethyl]-4-[(3R,17R)-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide;(4R)-N-[2-(tert-butyldisulfanyl)ethyl]-4-[(3R,17R)-3-hydroxy-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;N'-cyclohexyl-N-cyclohexylmethanimidamide;N,N-diethylethanamine;(4R)-4-[(10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid;2-methylpropan-2-yl N-tert-butylsulfanyl-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate;2-methyl-2-(propyldisulfanyl)propane;molecular hydrogen;2,3,4,5,6-pentafluorophenol;(2,3,4,5,6-pentafluorophenyl) (4R)-4-[(10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;hydrochloride.

Molecular Properties

• Compound Name: 2-aminoethanethiol;(4R)-N-[2-(tert-butyldisulfanyl)ethyl]-4-[(3R,17R)-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide;(4R)-N-[2-(tert-butyldisulfanyl)ethyl]-4-[(3R,17R)-3-hydroxy-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;N'-cyclohexyl-N-cyclohexylmethanimidamide;N,N-diethylethanamine;(4R)-4-[(10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid;2-methylpropan-2-yl N-tert-butylsulfanyl-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate;2-methyl-2-(propyldisulfanyl)propane;molecular hydrogen;2,3,4,5,6-pentafluorophenol;(2,3,4,5,6-pentafluorophenyl) (4R)-4-[(10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;hydrochloride
• PubChem CID: 162185652
• Molecular Formula: C176H320Cl2F10N12O17P2S8+2
• Molecular Weight: 3455.93 g/mol
• Exact Mass: 3452.10
• IUPAC Name: 2-aminoethanethiol;(4R)-N-[2-(tert-butyldisulfanyl)ethyl]-4-[(3R,17R)-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide;(4R)-N-[2-(tert-butyldisulfanyl)ethyl]-4-[(3R,17R)-3-hydroxy-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;N'-cyclohexyl-N-cyclohexylmethanimidamide;N,N-diethylethanamine;(4R)-4-[(10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid;2-methylpropan-2-yl N-tert-butylsulfanyl-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate;2-methyl-2-(propyldisulfanyl)propane;molecular hydrogen;2,3,4,5,6-pentafluorophenol;(2,3,4,5,6-pentafluorophenyl) (4R)-4-[(10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;hydrochloride
• SMILES: C(=N/C1CCCCC1)\NC1CC[CH+]CC1.CC(C)N(C(C)C)P(Cl)OCCC#N.CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1CCC2C(CCC3C2CCC2C3CC[C@@H]2[C@H](C)CCC(=O)NCCSSC(C)(C)C)C1.CCCSSC(C)(C)C.CCN(CC)CC.C[C@H](CCC(=O)NCCSSC(C)(C)C)[C@H]1CCC2C3CCC4C[C@H](O)CCC4C3CCC21.C[C@H](CCC(=O)O)[C@H]1CCC2C3CCC4CC(O)CC[C@]4(C)C3CC[C@@]21C.C[C@H](CCC(=O)Oc1c(F)c(F)c(F)c(F)c1F)[C@H]1CCC2C3CCC4CC(O)CC[C@]4(C)C3CC[C@@]21C.Cl.NCCS.Oc1c(F)c(F)c(F)c(F)c1F.[CH2+]C(C)(C)OC(=O)N(NC(=O)OC(C)(C)C)SC(C)(C)C.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C37H66N3O3PS2.C30H39F5O3.C28H49NO2S2.C24H40O3.C14H26N2O4S.C13H23N2.C9H18ClN2OP.C7H16S2.C6HF5O.C6H15N.C2H7NS.ClH.9H2/c1-25(2)40(26(3)4)44(42-22-9-20-38)43-29-12-14-31-28(24-29)11-13-34-33(31)18-17-32-30(15-16-35(32)34)27(5)10-19-36(41)39-21-23-45-46-37(6,7)8;1-15(4-9-22(37)38-28-26(34)24(32)23(31)25(33)27(28)35)19-7-8-20-18-6-5-16-14-17(36)10-12-29(16,2)21(18)11-13-30(19,20)3;1-18(5-14-27(31)29-15-16-32-33-28(2,3)4)21-10-11-26-23(21)12-13-24-22-9-7-20(30)17-19(22)6-8-25(24)26;1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3;1-12(2,3)19-10(17)15-16(21-14(7,8)9)11(18)20-13(4,5)6;1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;1-8(2)12(9(3)4)14(10)13-7-5-6-11;1-5-6-8-9-7(2,3)4;7-1-2(8)4(10)6(12)5(11)3(1)9;1-4-7(5-2)6-3;3-1-2-4;;;;;;;;;;/h25-35H,9-19,21-24H2,1-8H3,(H,39,41);15-21,36H,4-14H2,1-3H3;18-26,30H,5-17H2,1-4H3,(H,29,31);15-21,25H,4-14H2,1-3H3,(H,26,27);4H2,1-3,5-9H3;1,11-13H,2-10H2,(H,14,15);8-9H,5,7H2,1-4H3;5-6H2,1-4H3;12H;4-6H2,1-3H3;4H,1-3H2;10*1H/q;;;;;+1;;;;;;;;;;;;;;;/p+1/t27-,28?,29-,30-,31?,32?,33?,34?,35?,44?;15-,16?,17?,18?,19-,20?,21?,29+,30-;18-,19?,20-,21-,22?,23?,24?,25?,26?;15-,16?,17?,18?,19-,20?,21?,23+,24-;;;;;;;;;;;;;;;;;/m1111................./s1
• InChIKey: BKLMIQWONBOJMU-KQBIBBDQSA-O
• XLogP: 50.44
• TPSA: 405.99 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 31
• Rotatable Bonds: 51
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3455.93
LogP ≤ 5	50.44
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanethiol;(4R)-N-[2-(tert-butyldisulfanyl)ethyl]-4-[(3R,17R)-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide;(4R)-N-[2-(tert-butyldisulfanyl)ethyl]-4-[(3R,17R)-3-hydroxy-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;N'-cyclohexyl-N-cyclohexylmethanimidamide;N,N-diethylethanamine;(4R)-4-[(10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid;2-methylpropan-2-yl N-tert-butylsulfanyl-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate;2-methyl-2-(propyldisulfanyl)propane;molecular hydrogen;2,3,4,5,6-pentafluorophenol;(2,3,4,5,6-pentafluorophenyl) (4R)-4-[(10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;hydrochloride?

The IUPAC name of 2-aminoethanethiol;(4R)-N-[2-(tert-butyldisulfanyl)ethyl]-4-[(3R,17R)-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide;(4R)-N-[2-(tert-butyldisulfanyl)ethyl]-4-[(3R,17R)-3-hydroxy-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;N'-cyclohexyl-N-cyclohexylmethanimidamide;N,N-diethylethanamine;(4R)-4-[(10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid;2-methylpropan-2-yl N-tert-butylsulfanyl-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate;2-methyl-2-(propyldisulfanyl)propane;molecular hydrogen;2,3,4,5,6-pentafluorophenol;(2,3,4,5,6-pentafluorophenyl) (4R)-4-[(10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;hydrochloride (CID 162185652) is 2-aminoethanethiol;(4R)-N-[2-(tert-butyldisulfanyl)ethyl]-4-[(3R,17R)-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide;(4R)-N-[2-(tert-butyldisulfanyl)ethyl]-4-[(3R,17R)-3-hydroxy-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;N'-cyclohexyl-N-cyclohexylmethanimidamide;N,N-diethylethanamine;(4R)-4-[(10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid;2-methylpropan-2-yl N-tert-butylsulfanyl-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate;2-methyl-2-(propyldisulfanyl)propane;molecular hydrogen;2,3,4,5,6-pentafluorophenol;(2,3,4,5,6-pentafluorophenyl) (4R)-4-[(10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;hydrochloride.

What is the SMILES notation for 2-aminoethanethiol;(4R)-N-[2-(tert-butyldisulfanyl)ethyl]-4-[(3R,17R)-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide;(4R)-N-[2-(tert-butyldisulfanyl)ethyl]-4-[(3R,17R)-3-hydroxy-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;N'-cyclohexyl-N-cyclohexylmethanimidamide;N,N-diethylethanamine;(4R)-4-[(10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid;2-methylpropan-2-yl N-tert-butylsulfanyl-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate;2-methyl-2-(propyldisulfanyl)propane;molecular hydrogen;2,3,4,5,6-pentafluorophenol;(2,3,4,5,6-pentafluorophenyl) (4R)-4-[(10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;hydrochloride?

The canonical SMILES for 2-aminoethanethiol;(4R)-N-[2-(tert-butyldisulfanyl)ethyl]-4-[(3R,17R)-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide;(4R)-N-[2-(tert-butyldisulfanyl)ethyl]-4-[(3R,17R)-3-hydroxy-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;N'-cyclohexyl-N-cyclohexylmethanimidamide;N,N-diethylethanamine;(4R)-4-[(10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid;2-methylpropan-2-yl N-tert-butylsulfanyl-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate;2-methyl-2-(propyldisulfanyl)propane;molecular hydrogen;2,3,4,5,6-pentafluorophenol;(2,3,4,5,6-pentafluorophenyl) (4R)-4-[(10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;hydrochloride is C(=N/C1CCCCC1)\NC1CC[CH+]CC1.CC(C)N(C(C)C)P(Cl)OCCC#N.CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1CCC2C(CCC3C2CCC2C3CC[C@@H]2[C@H](C)CCC(=O)NCCSSC(C)(C)C)C1.CCCSSC(C)(C)C.CCN(CC)CC.C[C@H](CCC(=O)NCCSSC(C)(C)C)[C@H]1CCC2C3CCC4C[C@H](O)CCC4C3CCC21.C[C@H](CCC(=O)O)[C@H]1CCC2C3CCC4CC(O)CC[C@]4(C)C3CC[C@@]21C.C[C@H](CCC(=O)Oc1c(F)c(F)c(F)c(F)c1F)[C@H]1CCC2C3CCC4CC(O)CC[C@]4(C)C3CC[C@@]21C.Cl.NCCS.Oc1c(F)c(F)c(F)c(F)c1F.[CH2+]C(C)(C)OC(=O)N(NC(=O)OC(C)(C)C)SC(C)(C)C.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 2-aminoethanethiol;(4R)-N-[2-(tert-butyldisulfanyl)ethyl]-4-[(3R,17R)-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide;(4R)-N-[2-(tert-butyldisulfanyl)ethyl]-4-[(3R,17R)-3-hydroxy-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;N'-cyclohexyl-N-cyclohexylmethanimidamide;N,N-diethylethanamine;(4R)-4-[(10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid;2-methylpropan-2-yl N-tert-butylsulfanyl-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate;2-methyl-2-(propyldisulfanyl)propane;molecular hydrogen;2,3,4,5,6-pentafluorophenol;(2,3,4,5,6-pentafluorophenyl) (4R)-4-[(10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;hydrochloride?

The InChIKey is BKLMIQWONBOJMU-KQBIBBDQSA-O. The full InChI is InChI=1S/C37H66N3O3PS2.C30H39F5O3.C28H49NO2S2.C24H40O3.C14H26N2O4S.C13H23N2.C9H18ClN2OP.C7H16S2.C6HF5O.C6H15N.C2H7NS.ClH.9H2/c1-25(2)40(26(3)4)44(42-22-9-20-38)43-29-12-14-31-28(24-29)11-13-34-33(31)18-17-32-30(15-16-35(32)34)27(5)10-19-36(41)39-21-23-45-46-37(6,7)8;1-15(4-9-22(37)38-28-26(34)24(32)23(31)25(33)27(28)35)19-7-8-20-18-6-5-16-14-17(36)10-12-29(16,2)21(18)11-13-30(19,20)3;1-18(5-14-27(31)29-15-16-32-33-28(2,3)4)21-10-11-26-23(21)12-13-24-22-9-7-20(30)17-19(22)6-8-25(24)26;1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3;1-12(2,3)19-10(17)15-16(21-14(7,8)9)11(18)20-13(4,5)6;1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;1-8(2)12(9(3)4)14(10)13-7-5-6-11;1-5-6-8-9-7(2,3)4;7-1-2(8)4(10)6(12)5(11)3(1)9;1-4-7(5-2)6-3;3-1-2-4;;;;;;;;;;/h25-35H,9-19,21-24H2,1-8H3,(H,39,41);15-21,36H,4-14H2,1-3H3;18-26,30H,5-17H2,1-4H3,(H,29,31);15-21,25H,4-14H2,1-3H3,(H,26,27);4H2,1-3,5-9H3;1,11-13H,2-10H2,(H,14,15);8-9H,5,7H2,1-4H3;5-6H2,1-4H3;12H;4-6H2,1-3H3;4H,1-3H2;10*1H/q;;;;;+1;;;;;;;;;;;;;;;/p+1/t27-,28?,29-,30-,31?,32?,33?,34?,35?,44?;15-,16?,17?,18?,19-,20?,21?,29+,30-;18-,19?,20-,21-,22?,23?,24?,25?,26?;15-,16?,17?,18?,19-,20?,21?,23+,24-;;;;;;;;;;;;;;;;;/m1111................./s1.

What are the key properties of 2-aminoethanethiol;(4R)-N-[2-(tert-butyldisulfanyl)ethyl]-4-[(3R,17R)-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide;(4R)-N-[2-(tert-butyldisulfanyl)ethyl]-4-[(3R,17R)-3-hydroxy-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;N'-cyclohexyl-N-cyclohexylmethanimidamide;N,N-diethylethanamine;(4R)-4-[(10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid;2-methylpropan-2-yl N-tert-butylsulfanyl-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate;2-methyl-2-(propyldisulfanyl)propane;molecular hydrogen;2,3,4,5,6-pentafluorophenol;(2,3,4,5,6-pentafluorophenyl) (4R)-4-[(10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;hydrochloride?

2-aminoethanethiol;(4R)-N-[2-(tert-butyldisulfanyl)ethyl]-4-[(3R,17R)-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide;(4R)-N-[2-(tert-butyldisulfanyl)ethyl]-4-[(3R,17R)-3-hydroxy-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;N'-cyclohexyl-N-cyclohexylmethanimidamide;N,N-diethylethanamine;(4R)-4-[(10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid;2-methylpropan-2-yl N-tert-butylsulfanyl-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate;2-methyl-2-(propyldisulfanyl)propane;molecular hydrogen;2,3,4,5,6-pentafluorophenol;(2,3,4,5,6-pentafluorophenyl) (4R)-4-[(10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;hydrochloride has a molecular weight of 3455.93 g/mol, XLogP of 50.44, 51 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminoethanethiol;(4R)-N-[2-(tert-butyldisulfanyl)ethyl]-4-[(3R,17R)-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide;(4R)-N-[2-(tert-butyldisulfanyl)ethyl]-4-[(3R,17R)-3-hydroxy-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;N'-cyclohexyl-N-cyclohexylmethanimidamide;N,N-diethylethanamine;(4R)-4-[(10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid;2-methylpropan-2-yl N-tert-butylsulfanyl-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate;2-methyl-2-(propyldisulfanyl)propane;molecular hydrogen;2,3,4,5,6-pentafluorophenol;(2,3,4,5,6-pentafluorophenyl) (4R)-4-[(10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;hydrochloride is sourced from PubChem (CID 162185652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).