(2R,5S)-5-[[(2S)-2-[[(2S,3S)-2-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2R)-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-N-[(2S,5R)-6-[[(2S)-1-[[(2S)-5-amino-1,5-dioxo-1-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-[(2-fluorophenyl)methyl]-5-methyl-3,6-dioxohexan-2-yl]-2-(4-azidobutyl)-4-oxooctanediamide;N-[(2S)-1-[[2-[[(2R,3S,6R)-7-[[(2R,3S,6S)-7-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R,3R)-1-(tert-butylamino)-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]amino]-2-hydroxy-6-(hydroxymethyl)-4,7-dioxoheptan-3-yl]amino]-6-[(2-fluorophenyl)methyl]-2-hydroxy-6-methyl-4,7-dioxoheptan-3-yl]amino]-2-oxoethyl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]-N'-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethylpropanediamide;sulfane

C135H207F2N39O33S2 — CID 165055040

About (2R,5S)-5-[[(2S)-2-[[(2S,3S)-2-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2R)-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-N-[(2S,5R)-6-[[(2S)-1-[[(2S)-5-amino-1,5-dioxo-1-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-[(2-fluorophenyl)methyl]-5-methyl-3,6-dioxohexan-2-yl]-2-(4-azidobutyl)-4-oxooctanediamide;N-[(2S)-1-[[2-[[(2R,3S,6R)-7-[[(2R,3S,6S)-7-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R,3R)-1-(tert-butylamino)-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]amino]-2-hydroxy-6-(hydroxymethyl)-4,7-dioxoheptan-3-yl]amino]-6-[(2-fluorophenyl)methyl]-2-hydroxy-6-methyl-4,7-dioxoheptan-3-yl]amino]-2-oxoethyl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]-N'-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethylpropanediamide;sulfane

(2R,5S)-5-[[(2S)-2-[[(2S,3S)-2-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2R)-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-N-[(2S,5R)-6-[[(2S)-1-[[(2S)-5-amino-1,5-dioxo-1-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-[(2-fluorophenyl)methyl]-5-methyl-3,6-dioxohexan-2-yl]-2-(4-azidobutyl)-4-oxooctanediamide;N-[(2S)-1-[[2-[[(2R,3S,6R)-7-[[(2R,3S,6S)-7-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R,3R)-1-(tert-butylamino)-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]amino]-2-hydroxy-6-(hydroxymethyl)-4,7-dioxoheptan-3-yl]amino]-6-[(2-fluorophenyl)methyl]-2-hydroxy-6-methyl-4,7-dioxoheptan-3-yl]amino]-2-oxoethyl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]-N'-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethylpropanediamide;sulfane (PubChem CID 165055040) has the molecular formula C135H207F2N39O33S2 and a molecular weight of 3006.51 g/mol. Its IUPAC name is (2R,5S)-5-[[(2S)-2-[[(2S,3S)-2-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2R)-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-N-[(2S,5R)-6-[[(2S)-1-[[(2S)-5-amino-1,5-dioxo-1-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-[(2-fluorophenyl)methyl]-5-methyl-3,6-dioxohexan-2-yl]-2-(4-azidobutyl)-4-oxooctanediamide;N-[(2S)-1-[[2-[[(2R,3S,6R)-7-[[(2R,3S,6S)-7-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R,3R)-1-(tert-butylamino)-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]amino]-2-hydroxy-6-(hydroxymethyl)-4,7-dioxoheptan-3-yl]amino]-6-[(2-fluorophenyl)methyl]-2-hydroxy-6-methyl-4,7-dioxoheptan-3-yl]amino]-2-oxoethyl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]-N'-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethylpropanediamide;sulfane.

Molecular Properties

• Compound Name: (2R,5S)-5-[[(2S)-2-[[(2S,3S)-2-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2R)-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-N-[(2S,5R)-6-[[(2S)-1-[[(2S)-5-amino-1,5-dioxo-1-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-[(2-fluorophenyl)methyl]-5-methyl-3,6-dioxohexan-2-yl]-2-(4-azidobutyl)-4-oxooctanediamide;N-[(2S)-1-[[2-[[(2R,3S,6R)-7-[[(2R,3S,6S)-7-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R,3R)-1-(tert-butylamino)-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]amino]-2-hydroxy-6-(hydroxymethyl)-4,7-dioxoheptan-3-yl]amino]-6-[(2-fluorophenyl)methyl]-2-hydroxy-6-methyl-4,7-dioxoheptan-3-yl]amino]-2-oxoethyl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]-N'-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethylpropanediamide;sulfane
• PubChem CID: 165055040
• Molecular Formula: C135H207F2N39O33S2
• Molecular Weight: 3006.51 g/mol
• Exact Mass: 3004.51
• IUPAC Name: (2R,5S)-5-[[(2S)-2-[[(2S,3S)-2-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2R)-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-N-[(2S,5R)-6-[[(2S)-1-[[(2S)-5-amino-1,5-dioxo-1-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-[(2-fluorophenyl)methyl]-5-methyl-3,6-dioxohexan-2-yl]-2-(4-azidobutyl)-4-oxooctanediamide;N-[(2S)-1-[[2-[[(2R,3S,6R)-7-[[(2R,3S,6S)-7-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R,3R)-1-(tert-butylamino)-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]amino]-2-hydroxy-6-(hydroxymethyl)-4,7-dioxoheptan-3-yl]amino]-6-[(2-fluorophenyl)methyl]-2-hydroxy-6-methyl-4,7-dioxoheptan-3-yl]amino]-2-oxoethyl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]-N'-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethylpropanediamide;sulfane
• SMILES: CC[C@@H](C)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1nn[nH]n1)NC(=O)[C@H](CO)CC(=O)[C@@H](NC(=O)[C@@](C)(CC(=O)C(NC(=O)CNC(=O)[C@H](Cc1nn[nH]n1)NC(=O)C(C)(C)C(=O)NCCc1cnc[nH]1)[C@@H](C)O)Cc1ccccc1F)[C@@H](C)O)C(=O)NC(C)(C)C.CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)CC(=O)[C@H](Cc1nn[nH]n1)NC(=O)[C@@H](CC(C)=O)CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)C[C@@H](CCCCN=[N+]=[N-])C(=O)N[C@@H](C)C(=O)C[C@@](C)(Cc1ccccc1F)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)NCC(C)=O)C(C)C.S.S
• InChI: InChI=1S/C70H110FN19O16.C65H93FN20O17.2H2S/c1-12-40(6)61(84-64(101)46(19-15-17-27-72)32-54(94)52(33-58-86-89-90-87-58)83-65(102)48(29-38(2)3)30-41(7)91)68(105)80-44(10)62(99)81-50(23-25-56(73)96)53(93)31-45(20-16-18-28-78-88-75)63(100)79-43(9)55(95)35-70(11,34-47-21-13-14-22-49(47)71)69(106)85-60(39(4)5)67(104)82-51(24-26-57(74)97)66(103)77-37-59(98)76-36-42(8)92;1-11-33(2)51(59(100)78-63(5,6)7)76-58(99)45(31-88)73-56(97)42(22-36-16-18-40(91)19-17-36)72-57(98)44(25-49-81-85-86-82-49)71-54(95)38(30-87)23-46(92)52(34(3)89)77-62(103)65(10,26-37-14-12-13-15-41(37)66)27-47(93)53(35(4)90)75-50(94)29-69-55(96)43(24-48-79-83-84-80-48)74-61(102)64(8,9)60(101)68-21-20-39-28-67-32-70-39;;/h13-14,21-22,38-40,43-46,48,50-52,60-61H,12,15-20,23-37,72H2,1-11H3,(H2,73,96)(H2,74,97)(H,76,98)(H,77,103)(H,79,100)(H,80,105)(H,81,99)(H,82,104)(H,83,102)(H,84,101)(H,85,106)(H,86,87,89,90);12-19,28,32-35,38,42-45,51-53,87-91H,11,20-27,29-31H2,1-10H3,(H,67,70)(H,68,101)(H,69,96)(H,71,95)(H,72,98)(H,73,97)(H,74,102)(H,75,94)(H,76,99)(H,77,103)(H,78,100)(H,79,80,83,84)(H,81,82,85,86);2*1H2/t40-,43-,44-,45+,46+,48+,50-,51-,52-,60-,61-,70+;33-,34-,35-,38+,42+,43+,44+,45+,51-,52+,53?,65-;;/m01../s1
• InChIKey: QGWFHIMAAAILRR-WIBOBEDZSA-N
• XLogP: -3.10
• TPSA: 1126.56 Ų
• H-Bond Donors: 31
• H-Bond Acceptors: 45
• Rotatable Bonds: 95
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3006.51
LogP ≤ 5	-3.10
H-Bond Donors ≤ 5	31
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[[(2S)-2-[[(2S,3S)-2-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2R)-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-N-[(2S,5R)-6-[[(2S)-1-[[(2S)-5-amino-1,5-dioxo-1-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-[(2-fluorophenyl)methyl]-5-methyl-3,6-dioxohexan-2-yl]-2-(4-azidobutyl)-4-oxooctanediamide;N-[(2S)-1-[[2-[[(2R,3S,6R)-7-[[(2R,3S,6S)-7-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R,3R)-1-(tert-butylamino)-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]amino]-2-hydroxy-6-(hydroxymethyl)-4,7-dioxoheptan-3-yl]amino]-6-[(2-fluorophenyl)methyl]-2-hydroxy-6-methyl-4,7-dioxoheptan-3-yl]amino]-2-oxoethyl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]-N'-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethylpropanediamide;sulfane?

The IUPAC name of (2R,5S)-5-[[(2S)-2-[[(2S,3S)-2-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2R)-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-N-[(2S,5R)-6-[[(2S)-1-[[(2S)-5-amino-1,5-dioxo-1-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-[(2-fluorophenyl)methyl]-5-methyl-3,6-dioxohexan-2-yl]-2-(4-azidobutyl)-4-oxooctanediamide;N-[(2S)-1-[[2-[[(2R,3S,6R)-7-[[(2R,3S,6S)-7-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R,3R)-1-(tert-butylamino)-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]amino]-2-hydroxy-6-(hydroxymethyl)-4,7-dioxoheptan-3-yl]amino]-6-[(2-fluorophenyl)methyl]-2-hydroxy-6-methyl-4,7-dioxoheptan-3-yl]amino]-2-oxoethyl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]-N'-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethylpropanediamide;sulfane (CID 165055040) is (2R,5S)-5-[[(2S)-2-[[(2S,3S)-2-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2R)-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-N-[(2S,5R)-6-[[(2S)-1-[[(2S)-5-amino-1,5-dioxo-1-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-[(2-fluorophenyl)methyl]-5-methyl-3,6-dioxohexan-2-yl]-2-(4-azidobutyl)-4-oxooctanediamide;N-[(2S)-1-[[2-[[(2R,3S,6R)-7-[[(2R,3S,6S)-7-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R,3R)-1-(tert-butylamino)-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]amino]-2-hydroxy-6-(hydroxymethyl)-4,7-dioxoheptan-3-yl]amino]-6-[(2-fluorophenyl)methyl]-2-hydroxy-6-methyl-4,7-dioxoheptan-3-yl]amino]-2-oxoethyl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]-N'-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethylpropanediamide;sulfane.

What is the SMILES notation for (2R,5S)-5-[[(2S)-2-[[(2S,3S)-2-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2R)-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-N-[(2S,5R)-6-[[(2S)-1-[[(2S)-5-amino-1,5-dioxo-1-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-[(2-fluorophenyl)methyl]-5-methyl-3,6-dioxohexan-2-yl]-2-(4-azidobutyl)-4-oxooctanediamide;N-[(2S)-1-[[2-[[(2R,3S,6R)-7-[[(2R,3S,6S)-7-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R,3R)-1-(tert-butylamino)-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]amino]-2-hydroxy-6-(hydroxymethyl)-4,7-dioxoheptan-3-yl]amino]-6-[(2-fluorophenyl)methyl]-2-hydroxy-6-methyl-4,7-dioxoheptan-3-yl]amino]-2-oxoethyl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]-N'-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethylpropanediamide;sulfane?

The canonical SMILES for (2R,5S)-5-[[(2S)-2-[[(2S,3S)-2-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2R)-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-N-[(2S,5R)-6-[[(2S)-1-[[(2S)-5-amino-1,5-dioxo-1-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-[(2-fluorophenyl)methyl]-5-methyl-3,6-dioxohexan-2-yl]-2-(4-azidobutyl)-4-oxooctanediamide;N-[(2S)-1-[[2-[[(2R,3S,6R)-7-[[(2R,3S,6S)-7-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R,3R)-1-(tert-butylamino)-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]amino]-2-hydroxy-6-(hydroxymethyl)-4,7-dioxoheptan-3-yl]amino]-6-[(2-fluorophenyl)methyl]-2-hydroxy-6-methyl-4,7-dioxoheptan-3-yl]amino]-2-oxoethyl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]-N'-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethylpropanediamide;sulfane is CC[C@@H](C)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1nn[nH]n1)NC(=O)[C@H](CO)CC(=O)[C@@H](NC(=O)[C@@](C)(CC(=O)C(NC(=O)CNC(=O)[C@H](Cc1nn[nH]n1)NC(=O)C(C)(C)C(=O)NCCc1cnc[nH]1)[C@@H](C)O)Cc1ccccc1F)[C@@H](C)O)C(=O)NC(C)(C)C.CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)CC(=O)[C@H](Cc1nn[nH]n1)NC(=O)[C@@H](CC(C)=O)CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)C[C@@H](CCCCN=[N+]=[N-])C(=O)N[C@@H](C)C(=O)C[C@@](C)(Cc1ccccc1F)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)NCC(C)=O)C(C)C.S.S.

What is the InChIKey of (2R,5S)-5-[[(2S)-2-[[(2S,3S)-2-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2R)-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-N-[(2S,5R)-6-[[(2S)-1-[[(2S)-5-amino-1,5-dioxo-1-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-[(2-fluorophenyl)methyl]-5-methyl-3,6-dioxohexan-2-yl]-2-(4-azidobutyl)-4-oxooctanediamide;N-[(2S)-1-[[2-[[(2R,3S,6R)-7-[[(2R,3S,6S)-7-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R,3R)-1-(tert-butylamino)-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]amino]-2-hydroxy-6-(hydroxymethyl)-4,7-dioxoheptan-3-yl]amino]-6-[(2-fluorophenyl)methyl]-2-hydroxy-6-methyl-4,7-dioxoheptan-3-yl]amino]-2-oxoethyl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]-N'-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethylpropanediamide;sulfane?

The InChIKey is QGWFHIMAAAILRR-WIBOBEDZSA-N. The full InChI is InChI=1S/C70H110FN19O16.C65H93FN20O17.2H2S/c1-12-40(6)61(84-64(101)46(19-15-17-27-72)32-54(94)52(33-58-86-89-90-87-58)83-65(102)48(29-38(2)3)30-41(7)91)68(105)80-44(10)62(99)81-50(23-25-56(73)96)53(93)31-45(20-16-18-28-78-88-75)63(100)79-43(9)55(95)35-70(11,34-47-21-13-14-22-49(47)71)69(106)85-60(39(4)5)67(104)82-51(24-26-57(74)97)66(103)77-37-59(98)76-36-42(8)92;1-11-33(2)51(59(100)78-63(5,6)7)76-58(99)45(31-88)73-56(97)42(22-36-16-18-40(91)19-17-36)72-57(98)44(25-49-81-85-86-82-49)71-54(95)38(30-87)23-46(92)52(34(3)89)77-62(103)65(10,26-37-14-12-13-15-41(37)66)27-47(93)53(35(4)90)75-50(94)29-69-55(96)43(24-48-79-83-84-80-48)74-61(102)64(8,9)60(101)68-21-20-39-28-67-32-70-39;;/h13-14,21-22,38-40,43-46,48,50-52,60-61H,12,15-20,23-37,72H2,1-11H3,(H2,73,96)(H2,74,97)(H,76,98)(H,77,103)(H,79,100)(H,80,105)(H,81,99)(H,82,104)(H,83,102)(H,84,101)(H,85,106)(H,86,87,89,90);12-19,28,32-35,38,42-45,51-53,87-91H,11,20-27,29-31H2,1-10H3,(H,67,70)(H,68,101)(H,69,96)(H,71,95)(H,72,98)(H,73,97)(H,74,102)(H,75,94)(H,76,99)(H,77,103)(H,78,100)(H,79,80,83,84)(H,81,82,85,86);2*1H2/t40-,43-,44-,45+,46+,48+,50-,51-,52-,60-,61-,70+;33-,34-,35-,38+,42+,43+,44+,45+,51-,52+,53?,65-;;/m01../s1.

What are the key properties of (2R,5S)-5-[[(2S)-2-[[(2S,3S)-2-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2R)-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-N-[(2S,5R)-6-[[(2S)-1-[[(2S)-5-amino-1,5-dioxo-1-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-[(2-fluorophenyl)methyl]-5-methyl-3,6-dioxohexan-2-yl]-2-(4-azidobutyl)-4-oxooctanediamide;N-[(2S)-1-[[2-[[(2R,3S,6R)-7-[[(2R,3S,6S)-7-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R,3R)-1-(tert-butylamino)-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]amino]-2-hydroxy-6-(hydroxymethyl)-4,7-dioxoheptan-3-yl]amino]-6-[(2-fluorophenyl)methyl]-2-hydroxy-6-methyl-4,7-dioxoheptan-3-yl]amino]-2-oxoethyl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]-N'-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethylpropanediamide;sulfane?

(2R,5S)-5-[[(2S)-2-[[(2S,3S)-2-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2R)-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-N-[(2S,5R)-6-[[(2S)-1-[[(2S)-5-amino-1,5-dioxo-1-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-[(2-fluorophenyl)methyl]-5-methyl-3,6-dioxohexan-2-yl]-2-(4-azidobutyl)-4-oxooctanediamide;N-[(2S)-1-[[2-[[(2R,3S,6R)-7-[[(2R,3S,6S)-7-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R,3R)-1-(tert-butylamino)-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]amino]-2-hydroxy-6-(hydroxymethyl)-4,7-dioxoheptan-3-yl]amino]-6-[(2-fluorophenyl)methyl]-2-hydroxy-6-methyl-4,7-dioxoheptan-3-yl]amino]-2-oxoethyl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]-N'-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethylpropanediamide;sulfane has a molecular weight of 3006.51 g/mol, XLogP of -3.10, 95 rotatable bonds, 31 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,5S)-5-[[(2S)-2-[[(2S,3S)-2-[[(2R,5S)-2-(4-aminobutyl)-5-[[(2R)-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxo-6-(2H-tetrazol-5-yl)hexanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-N-[(2S,5R)-6-[[(2S)-1-[[(2S)-5-amino-1,5-dioxo-1-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-[(2-fluorophenyl)methyl]-5-methyl-3,6-dioxohexan-2-yl]-2-(4-azidobutyl)-4-oxooctanediamide;N-[(2S)-1-[[2-[[(2R,3S,6R)-7-[[(2R,3S,6S)-7-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R,3R)-1-(tert-butylamino)-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]amino]-2-hydroxy-6-(hydroxymethyl)-4,7-dioxoheptan-3-yl]amino]-6-[(2-fluorophenyl)methyl]-2-hydroxy-6-methyl-4,7-dioxoheptan-3-yl]amino]-2-oxoethyl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]-N'-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethylpropanediamide;sulfane is sourced from PubChem (CID 165055040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).