[(4R)-1-[4-(2-aminoethyldisulfanyl)butanoyl]-4-hydroxypyrrolidin-2-yl]methyl [(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] phosphate;[(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-(4-sulfanylbutanoyl)pyrrolidin-2-yl]methyl phosphate;[(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(sulfido)phosphoryl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-(4-sulfanylbutanoyl)pyrrolidin-2-yl]methyl phosphate;2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-12-[4-[4-[(E)-C-methyl-N-[3-(pyridin-2-yldisulfanyl)propanoylamino]carbonimidoyl]phenoxy]butanoylamino]-5-oxododecanoic acid;(2,5-dioxopyrrolidin-1-yl) 6-[[2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-1,3-dioxolan-4-yl]methyl-methylamino]hexanoate;ethane-1,2-diol;sulfane

C167H279N23O49P6S10-6 — CID 172943637

About [(4R)-1-[4-(2-aminoethyldisulfanyl)butanoyl]-4-hydroxypyrrolidin-2-yl]methyl [(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] phosphate;[(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-(4-sulfanylbutanoyl)pyrrolidin-2-yl]methyl phosphate;[(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(sulfido)phosphoryl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-(4-sulfanylbutanoyl)pyrrolidin-2-yl]methyl phosphate;2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-12-[4-[4-[(E)-C-methyl-N-[3-(pyridin-2-yldisulfanyl)propanoylamino]carbonimidoyl]phenoxy]butanoylamino]-5-oxododecanoic acid;(2,5-dioxopyrrolidin-1-yl) 6-[[2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-1,3-dioxolan-4-yl]methyl-methylamino]hexanoate;ethane-1,2-diol;sulfane

[(4R)-1-[4-(2-aminoethyldisulfanyl)butanoyl]-4-hydroxypyrrolidin-2-yl]methyl [(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] phosphate;[(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-(4-sulfanylbutanoyl)pyrrolidin-2-yl]methyl phosphate;[(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(sulfido)phosphoryl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-(4-sulfanylbutanoyl)pyrrolidin-2-yl]methyl phosphate;2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-12-[4-[4-[(E)-C-methyl-N-[3-(pyridin-2-yldisulfanyl)propanoylamino]carbonimidoyl]phenoxy]butanoylamino]-5-oxododecanoic acid;(2,5-dioxopyrrolidin-1-yl) 6-[[2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-1,3-dioxolan-4-yl]methyl-methylamino]hexanoate;ethane-1,2-diol;sulfane (PubChem CID 172943637) has the molecular formula C167H279N23O49P6S10-6 and a molecular weight of 3899.70 g/mol. Its IUPAC name is [(4R)-1-[4-(2-aminoethyldisulfanyl)butanoyl]-4-hydroxypyrrolidin-2-yl]methyl [(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] phosphate;[(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-(4-sulfanylbutanoyl)pyrrolidin-2-yl]methyl phosphate;[(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(sulfido)phosphoryl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-(4-sulfanylbutanoyl)pyrrolidin-2-yl]methyl phosphate;2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-12-[4-[4-[(E)-C-methyl-N-[3-(pyridin-2-yldisulfanyl)propanoylamino]carbonimidoyl]phenoxy]butanoylamino]-5-oxododecanoic acid;(2,5-dioxopyrrolidin-1-yl) 6-[[2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-1,3-dioxolan-4-yl]methyl-methylamino]hexanoate;ethane-1,2-diol;sulfane.

Molecular Properties

• Compound Name: [(4R)-1-[4-(2-aminoethyldisulfanyl)butanoyl]-4-hydroxypyrrolidin-2-yl]methyl [(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] phosphate;[(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-(4-sulfanylbutanoyl)pyrrolidin-2-yl]methyl phosphate;[(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(sulfido)phosphoryl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-(4-sulfanylbutanoyl)pyrrolidin-2-yl]methyl phosphate;2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-12-[4-[4-[(E)-C-methyl-N-[3-(pyridin-2-yldisulfanyl)propanoylamino]carbonimidoyl]phenoxy]butanoylamino]-5-oxododecanoic acid;(2,5-dioxopyrrolidin-1-yl) 6-[[2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-1,3-dioxolan-4-yl]methyl-methylamino]hexanoate;ethane-1,2-diol;sulfane
• PubChem CID: 172943637
• Molecular Formula: C167H279N23O49P6S10-6
• Molecular Weight: 3899.70 g/mol
• Exact Mass: 3896.57
• IUPAC Name: [(4R)-1-[4-(2-aminoethyldisulfanyl)butanoyl]-4-hydroxypyrrolidin-2-yl]methyl [(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] phosphate;[(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-(4-sulfanylbutanoyl)pyrrolidin-2-yl]methyl phosphate;[(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(sulfido)phosphoryl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-(4-sulfanylbutanoyl)pyrrolidin-2-yl]methyl phosphate;2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-12-[4-[4-[(E)-C-methyl-N-[3-(pyridin-2-yldisulfanyl)propanoylamino]carbonimidoyl]phenoxy]butanoylamino]-5-oxododecanoic acid;(2,5-dioxopyrrolidin-1-yl) 6-[[2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-1,3-dioxolan-4-yl]methyl-methylamino]hexanoate;ethane-1,2-diol;sulfane
• SMILES: C/C(=N\NC(=O)CCSSc1ccccn1)c1ccc(OCCCC(=O)NCCCCCCCC(=O)CCC(NC(=O)c2ccc(NCc3cnc4nc(N)[nH]c(=O)c4n3)cc2)C(=O)O)cc1.CCCCC/C=C\C/C=C\CCCCCCCCC1(CCCCCCCC/C=C\C/C=C\CCCCC)OCC(CN(C)CCCCCC(=O)ON2C(=O)CCC2=O)O1.NCCCCCC(=O)N1C[C@H](OP(=O)([O-])OCC2C[C@@H](O)CN2C(=O)CCCS)CC1COP(=O)([S-])OCCO.NCCCCCC(=O)N1C[C@H](OP(=O)([O-])OCC2C[C@@H](O)CN2C(=O)CCCS)CC1COP([O-])(=S)OCCO.NCCCCCC(=O)N1C[C@H](OP(=O)([O-])OCC2C[C@@H](O)CN2C(=O)CCCSSCCN)CC1COP([O-])(=S)OCCO.OCCO.S
• InChI: InChI=1S/C51H88N2O6.C46H55N11O8S2.C24H48N4O11P2S3.2C22H43N3O11P2S2.C2H6O2.H2S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36-42-51(43-37-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)57-46-47(58-51)45-52(3)44-38-34-35-39-50(56)59-53-48(54)40-41-49(53)55;1-30(56-57-39(60)23-27-66-67-40-12-6-8-25-49-40)31-15-20-36(21-16-31)65-26-9-11-38(59)48-24-7-4-2-3-5-10-35(58)19-22-37(45(63)64)53-43(61)32-13-17-33(18-14-32)50-28-34-29-51-42-41(52-34)44(62)55-46(47)54-42;25-7-3-1-2-5-23(31)28-16-22(14-20(28)18-38-41(35,42)36-10-9-29)39-40(33,34)37-17-19-13-21(30)15-27(19)24(32)6-4-11-43-44-12-8-26;2*23-7-3-1-2-5-21(28)25-14-20(12-18(25)16-35-38(32,40)33-9-8-26)36-37(30,31)34-15-17-11-19(27)13-24(17)22(29)6-4-10-39;3-1-2-4;/h12-15,18-21,47H,4-11,16-17,22-46H2,1-3H3;6,8,12-18,20-21,25,29,37,50H,2-5,7,9-11,19,22-24,26-28H2,1H3,(H,48,59)(H,53,61)(H,57,60)(H,63,64)(H3,47,51,54,55,62);19-22,29-30H,1-18,25-26H2,(H,33,34)(H,35,42);2*17-20,26-27,39H,1-16,23H2,(H,30,31)(H,32,40);3-4H,1-2H2;1H2/p-6/b14-12-,15-13-,20-18-,21-19-;56-30+;;;;;/t;;19?,20?,21-,22-,41?;2*17?,18?,19-,20-,38?;;/m..111../s1
• InChIKey: ALQBHLFADJNJRN-UGVDJJJXSA-H
• XLogP: 17.77
• TPSA: 1053.23 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 69
• Rotatable Bonds: 130
• Heavy Atoms: 255
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3899.70
LogP ≤ 5	17.77
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	69

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(4R)-1-[4-(2-aminoethyldisulfanyl)butanoyl]-4-hydroxypyrrolidin-2-yl]methyl [(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] phosphate;[(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-(4-sulfanylbutanoyl)pyrrolidin-2-yl]methyl phosphate;[(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(sulfido)phosphoryl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-(4-sulfanylbutanoyl)pyrrolidin-2-yl]methyl phosphate;2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-12-[4-[4-[(E)-C-methyl-N-[3-(pyridin-2-yldisulfanyl)propanoylamino]carbonimidoyl]phenoxy]butanoylamino]-5-oxododecanoic acid;(2,5-dioxopyrrolidin-1-yl) 6-[[2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-1,3-dioxolan-4-yl]methyl-methylamino]hexanoate;ethane-1,2-diol;sulfane?

The IUPAC name of [(4R)-1-[4-(2-aminoethyldisulfanyl)butanoyl]-4-hydroxypyrrolidin-2-yl]methyl [(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] phosphate;[(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-(4-sulfanylbutanoyl)pyrrolidin-2-yl]methyl phosphate;[(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(sulfido)phosphoryl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-(4-sulfanylbutanoyl)pyrrolidin-2-yl]methyl phosphate;2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-12-[4-[4-[(E)-C-methyl-N-[3-(pyridin-2-yldisulfanyl)propanoylamino]carbonimidoyl]phenoxy]butanoylamino]-5-oxododecanoic acid;(2,5-dioxopyrrolidin-1-yl) 6-[[2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-1,3-dioxolan-4-yl]methyl-methylamino]hexanoate;ethane-1,2-diol;sulfane (CID 172943637) is [(4R)-1-[4-(2-aminoethyldisulfanyl)butanoyl]-4-hydroxypyrrolidin-2-yl]methyl [(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] phosphate;[(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-(4-sulfanylbutanoyl)pyrrolidin-2-yl]methyl phosphate;[(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(sulfido)phosphoryl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-(4-sulfanylbutanoyl)pyrrolidin-2-yl]methyl phosphate;2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-12-[4-[4-[(E)-C-methyl-N-[3-(pyridin-2-yldisulfanyl)propanoylamino]carbonimidoyl]phenoxy]butanoylamino]-5-oxododecanoic acid;(2,5-dioxopyrrolidin-1-yl) 6-[[2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-1,3-dioxolan-4-yl]methyl-methylamino]hexanoate;ethane-1,2-diol;sulfane.

What is the SMILES notation for [(4R)-1-[4-(2-aminoethyldisulfanyl)butanoyl]-4-hydroxypyrrolidin-2-yl]methyl [(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] phosphate;[(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-(4-sulfanylbutanoyl)pyrrolidin-2-yl]methyl phosphate;[(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(sulfido)phosphoryl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-(4-sulfanylbutanoyl)pyrrolidin-2-yl]methyl phosphate;2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-12-[4-[4-[(E)-C-methyl-N-[3-(pyridin-2-yldisulfanyl)propanoylamino]carbonimidoyl]phenoxy]butanoylamino]-5-oxododecanoic acid;(2,5-dioxopyrrolidin-1-yl) 6-[[2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-1,3-dioxolan-4-yl]methyl-methylamino]hexanoate;ethane-1,2-diol;sulfane?

The canonical SMILES for [(4R)-1-[4-(2-aminoethyldisulfanyl)butanoyl]-4-hydroxypyrrolidin-2-yl]methyl [(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] phosphate;[(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-(4-sulfanylbutanoyl)pyrrolidin-2-yl]methyl phosphate;[(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(sulfido)phosphoryl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-(4-sulfanylbutanoyl)pyrrolidin-2-yl]methyl phosphate;2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-12-[4-[4-[(E)-C-methyl-N-[3-(pyridin-2-yldisulfanyl)propanoylamino]carbonimidoyl]phenoxy]butanoylamino]-5-oxododecanoic acid;(2,5-dioxopyrrolidin-1-yl) 6-[[2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-1,3-dioxolan-4-yl]methyl-methylamino]hexanoate;ethane-1,2-diol;sulfane is C/C(=N\NC(=O)CCSSc1ccccn1)c1ccc(OCCCC(=O)NCCCCCCCC(=O)CCC(NC(=O)c2ccc(NCc3cnc4nc(N)[nH]c(=O)c4n3)cc2)C(=O)O)cc1.CCCCC/C=C\C/C=C\CCCCCCCCC1(CCCCCCCC/C=C\C/C=C\CCCCC)OCC(CN(C)CCCCCC(=O)ON2C(=O)CCC2=O)O1.NCCCCCC(=O)N1C[C@H](OP(=O)([O-])OCC2C[C@@H](O)CN2C(=O)CCCS)CC1COP(=O)([S-])OCCO.NCCCCCC(=O)N1C[C@H](OP(=O)([O-])OCC2C[C@@H](O)CN2C(=O)CCCS)CC1COP([O-])(=S)OCCO.NCCCCCC(=O)N1C[C@H](OP(=O)([O-])OCC2C[C@@H](O)CN2C(=O)CCCSSCCN)CC1COP([O-])(=S)OCCO.OCCO.S.

What is the InChIKey of [(4R)-1-[4-(2-aminoethyldisulfanyl)butanoyl]-4-hydroxypyrrolidin-2-yl]methyl [(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] phosphate;[(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-(4-sulfanylbutanoyl)pyrrolidin-2-yl]methyl phosphate;[(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(sulfido)phosphoryl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-(4-sulfanylbutanoyl)pyrrolidin-2-yl]methyl phosphate;2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-12-[4-[4-[(E)-C-methyl-N-[3-(pyridin-2-yldisulfanyl)propanoylamino]carbonimidoyl]phenoxy]butanoylamino]-5-oxododecanoic acid;(2,5-dioxopyrrolidin-1-yl) 6-[[2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-1,3-dioxolan-4-yl]methyl-methylamino]hexanoate;ethane-1,2-diol;sulfane?

The InChIKey is ALQBHLFADJNJRN-UGVDJJJXSA-H. The full InChI is InChI=1S/C51H88N2O6.C46H55N11O8S2.C24H48N4O11P2S3.2C22H43N3O11P2S2.C2H6O2.H2S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36-42-51(43-37-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)57-46-47(58-51)45-52(3)44-38-34-35-39-50(56)59-53-48(54)40-41-49(53)55;1-30(56-57-39(60)23-27-66-67-40-12-6-8-25-49-40)31-15-20-36(21-16-31)65-26-9-11-38(59)48-24-7-4-2-3-5-10-35(58)19-22-37(45(63)64)53-43(61)32-13-17-33(18-14-32)50-28-34-29-51-42-41(52-34)44(62)55-46(47)54-42;25-7-3-1-2-5-23(31)28-16-22(14-20(28)18-38-41(35,42)36-10-9-29)39-40(33,34)37-17-19-13-21(30)15-27(19)24(32)6-4-11-43-44-12-8-26;2*23-7-3-1-2-5-21(28)25-14-20(12-18(25)16-35-38(32,40)33-9-8-26)36-37(30,31)34-15-17-11-19(27)13-24(17)22(29)6-4-10-39;3-1-2-4;/h12-15,18-21,47H,4-11,16-17,22-46H2,1-3H3;6,8,12-18,20-21,25,29,37,50H,2-5,7,9-11,19,22-24,26-28H2,1H3,(H,48,59)(H,53,61)(H,57,60)(H,63,64)(H3,47,51,54,55,62);19-22,29-30H,1-18,25-26H2,(H,33,34)(H,35,42);2*17-20,26-27,39H,1-16,23H2,(H,30,31)(H,32,40);3-4H,1-2H2;1H2/p-6/b14-12-,15-13-,20-18-,21-19-;56-30+;;;;;/t;;19?,20?,21-,22-,41?;2*17?,18?,19-,20-,38?;;/m..111../s1.

What are the key properties of [(4R)-1-[4-(2-aminoethyldisulfanyl)butanoyl]-4-hydroxypyrrolidin-2-yl]methyl [(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] phosphate;[(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-(4-sulfanylbutanoyl)pyrrolidin-2-yl]methyl phosphate;[(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(sulfido)phosphoryl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-(4-sulfanylbutanoyl)pyrrolidin-2-yl]methyl phosphate;2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-12-[4-[4-[(E)-C-methyl-N-[3-(pyridin-2-yldisulfanyl)propanoylamino]carbonimidoyl]phenoxy]butanoylamino]-5-oxododecanoic acid;(2,5-dioxopyrrolidin-1-yl) 6-[[2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-1,3-dioxolan-4-yl]methyl-methylamino]hexanoate;ethane-1,2-diol;sulfane?

[(4R)-1-[4-(2-aminoethyldisulfanyl)butanoyl]-4-hydroxypyrrolidin-2-yl]methyl [(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] phosphate;[(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-(4-sulfanylbutanoyl)pyrrolidin-2-yl]methyl phosphate;[(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(sulfido)phosphoryl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-(4-sulfanylbutanoyl)pyrrolidin-2-yl]methyl phosphate;2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-12-[4-[4-[(E)-C-methyl-N-[3-(pyridin-2-yldisulfanyl)propanoylamino]carbonimidoyl]phenoxy]butanoylamino]-5-oxododecanoic acid;(2,5-dioxopyrrolidin-1-yl) 6-[[2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-1,3-dioxolan-4-yl]methyl-methylamino]hexanoate;ethane-1,2-diol;sulfane has a molecular weight of 3899.70 g/mol, XLogP of 17.77, 130 rotatable bonds, 21 hydrogen bond donors, and 69 hydrogen bond acceptors.

Where does this data come from?

All data for [(4R)-1-[4-(2-aminoethyldisulfanyl)butanoyl]-4-hydroxypyrrolidin-2-yl]methyl [(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] phosphate;[(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(oxido)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-(4-sulfanylbutanoyl)pyrrolidin-2-yl]methyl phosphate;[(3R)-1-(6-aminohexanoyl)-5-[[2-hydroxyethoxy(sulfido)phosphoryl]oxymethyl]pyrrolidin-3-yl] [(4R)-4-hydroxy-1-(4-sulfanylbutanoyl)pyrrolidin-2-yl]methyl phosphate;2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-12-[4-[4-[(E)-C-methyl-N-[3-(pyridin-2-yldisulfanyl)propanoylamino]carbonimidoyl]phenoxy]butanoylamino]-5-oxododecanoic acid;(2,5-dioxopyrrolidin-1-yl) 6-[[2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-1,3-dioxolan-4-yl]methyl-methylamino]hexanoate;ethane-1,2-diol;sulfane is sourced from PubChem (CID 172943637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).