bis(acetonitrile);6-aminohexanoic acid;3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoic acid;2-[6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoylamino]butanedioic acid;(2,5-dioxopyrrolidin-1-yl) 3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate;(2,5-dioxopyrrolidin-1-yl) 6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoate;2-[6-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfanylpropanoyl]amino]hexanoylamino]butanedioic acid

C178H221N17O40S11 — CID 159029787

IUPACbis(acetonitrile);6-aminohexanoic acid;3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoic acid;2-[6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoylamino]butanedioic acid;(2,5-dioxopyrrolidin-1-yl) 3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate;(2,5-dioxopyrrolidin-1-yl) 6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoate;2-[6-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfanylpropanoyl]amino]hexanoylamino]butanedioic acid
SMILESCC#N.CC#N.CC(C)(C)SSCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCCCCC(=O)NC(CC(=O)O)C(=O)O.CC(C)(C)SSCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCCCCC(=O)O.CC(C)(C)SSCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCCCCC(=O)ON1C(=O)CCC1=O.CC(C)(C)SSCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.CC(C)(C)SSCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)ON1C(=O)CCC1=O.NCCCCCC(=O)O.O=C(O)CC(NC(=O)CCCCCNC(=O)C(CS)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C32H41N3O8S2.C32H39N3O7S2.C28H33N3O8S.C28H36N2O5S2.C26H28N2O6S2.C22H25NO4S2.C6H13NO2.2C2H3N/c1-32(2,3)45-44-19-26(29(39)33-16-10-4-5-15-27(36)34-25(30(40)41)17-28(37)38)35-31(42)43-18-24-22-13-8-6-11-20(22)21-12-7-9-14-23(21)24;1-32(2,3)44-43-20-26(30(39)33-18-10-4-5-15-29(38)42-35-27(36)16-17-28(35)37)34-31(40)41-19-25-23-13-8-6-11-21(23)22-12-7-9-14-24(22)25;32-24(30-22(27(36)37)14-25(33)34)12-2-1-7-13-29-26(35)23(16-40)31-28(38)39-15-21-19-10-5-3-8-17(19)18-9-4-6-11-20(18)21;1-28(2,3)37-36-18-24(26(33)29-16-10-4-5-15-25(31)32)30-27(34)35-17-23-21-13-8-6-11-19(21)20-12-7-9-14-22(20)23;1-26(2,3)36-35-15-21(24(31)34-28-22(29)12-13-23(28)30)27-25(32)33-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20;1-22(2,3)29-28-13-19(20(24)25)23-21(26)27-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18;7-5-3-1-2-4-6(8)9;2*1-2-3/h6-9,11-14,24-26H,4-5,10,15-19H2,1-3H3,(H,33,39)(H,34,36)(H,35,42)(H,37,38)(H,40,41);6-9,11-14,25-26H,4-5,10,15-20H2,1-3H3,(H,33,39)(H,34,40);3-6,8-11,21-23,40H,1-2,7,12-16H2,(H,29,35)(H,30,32)(H,31,38)(H,33,34)(H,36,37);6-9,11-14,23-24H,4-5,10,15-18H2,1-3H3,(H,29,33)(H,30,34)(H,31,32);4-11,20-21H,12-15H2,1-3H3,(H,27,32);4-11,18-19H,12-13H2,1-3H3,(H,23,26)(H,24,25);1-5,7H2,(H,8,9);2*1H3
InChIKeyJUSVWGCVAGUIGB-UHFFFAOYSA-N
MW3591.54 g/mol
LogP30.02
Rot. Bonds79

About bis(acetonitrile);6-aminohexanoic acid;3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoic acid;2-[6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoylamino]butanedioic acid;(2,5-dioxopyrrolidin-1-yl) 3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate;(2,5-dioxopyrrolidin-1-yl) 6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoate;2-[6-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfanylpropanoyl]amino]hexanoylamino]butanedioic acid

bis(acetonitrile);6-aminohexanoic acid;3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoic acid;2-[6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoylamino]butanedioic acid;(2,5-dioxopyrrolidin-1-yl) 3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate;(2,5-dioxopyrrolidin-1-yl) 6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoate;2-[6-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfanylpropanoyl]amino]hexanoylamino]butanedioic acid (PubChem CID 159029787) has the molecular formula C178H221N17O40S11 and a molecular weight of 3591.54 g/mol. Its IUPAC name is bis(acetonitrile);6-aminohexanoic acid;3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoic acid;2-[6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoylamino]butanedioic acid;(2,5-dioxopyrrolidin-1-yl) 3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate;(2,5-dioxopyrrolidin-1-yl) 6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoate;2-[6-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfanylpropanoyl]amino]hexanoylamino]butanedioic acid.

Molecular Properties

Compound Namebis(acetonitrile);6-aminohexanoic acid;3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoic acid;2-[6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoylamino]butanedioic acid;(2,5-dioxopyrrolidin-1-yl) 3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate;(2,5-dioxopyrrolidin-1-yl) 6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoate;2-[6-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfanylpropanoyl]amino]hexanoylamino]butanedioic acid
PubChem CID159029787
Molecular FormulaC178H221N17O40S11
Molecular Weight3591.54 g/mol
Exact Mass3588.27
IUPAC Namebis(acetonitrile);6-aminohexanoic acid;3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoic acid;2-[6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoylamino]butanedioic acid;(2,5-dioxopyrrolidin-1-yl) 3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate;(2,5-dioxopyrrolidin-1-yl) 6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoate;2-[6-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfanylpropanoyl]amino]hexanoylamino]butanedioic acid
SMILESCC#N.CC#N.CC(C)(C)SSCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCCCCC(=O)NC(CC(=O)O)C(=O)O.CC(C)(C)SSCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCCCCC(=O)O.CC(C)(C)SSCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCCCCC(=O)ON1C(=O)CCC1=O.CC(C)(C)SSCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.CC(C)(C)SSCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)ON1C(=O)CCC1=O.NCCCCCC(=O)O.O=C(O)CC(NC(=O)CCCCCNC(=O)C(CS)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C32H41N3O8S2.C32H39N3O7S2.C28H33N3O8S.C28H36N2O5S2.C26H28N2O6S2.C22H25NO4S2.C6H13NO2.2C2H3N/c1-32(2,3)45-44-19-26(29(39)33-16-10-4-5-15-27(36)34-25(30(40)41)17-28(37)38)35-31(42)43-18-24-22-13-8-6-11-20(22)21-12-7-9-14-23(21)24;1-32(2,3)44-43-20-26(30(39)33-18-10-4-5-15-29(38)42-35-27(36)16-17-28(35)37)34-31(40)41-19-25-23-13-8-6-11-21(23)22-12-7-9-14-24(22)25;32-24(30-22(27(36)37)14-25(33)34)12-2-1-7-13-29-26(35)23(16-40)31-28(38)39-15-21-19-10-5-3-8-17(19)18-9-4-6-11-20(18)21;1-28(2,3)37-36-18-24(26(33)29-16-10-4-5-15-25(31)32)30-27(34)35-17-23-21-13-8-6-11-19(21)20-12-7-9-14-22(20)23;1-26(2,3)36-35-15-21(24(31)34-28-22(29)12-13-23(28)30)27-25(32)33-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20;1-22(2,3)29-28-13-19(20(24)25)23-21(26)27-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18;7-5-3-1-2-4-6(8)9;2*1-2-3/h6-9,11-14,24-26H,4-5,10,15-19H2,1-3H3,(H,33,39)(H,34,36)(H,35,42)(H,37,38)(H,40,41);6-9,11-14,25-26H,4-5,10,15-20H2,1-3H3,(H,33,39)(H,34,40);3-6,8-11,21-23,40H,1-2,7,12-16H2,(H,29,35)(H,30,32)(H,31,38)(H,33,34)(H,36,37);6-9,11-14,23-24H,4-5,10,15-18H2,1-3H3,(H,29,33)(H,30,34)(H,31,32);4-11,20-21H,12-15H2,1-3H3,(H,27,32);4-11,18-19H,12-13H2,1-3H3,(H,23,26)(H,24,25);1-5,7H2,(H,8,9);2*1H3
InChIKeyJUSVWGCVAGUIGB-UHFFFAOYSA-N
XLogP30.02
TPSA866.64 Ų
H-Bond Donors21
H-Bond Acceptors47
Rotatable Bonds79
Heavy Atoms246
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003591.54
LogP ≤ 530.02
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze bis(acetonitrile);6-aminohexanoic acid;3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoic acid;2-[6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoylamino]butanedioic acid;(2,5-dioxopyrrolidin-1-yl) 3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate;(2,5-dioxopyrrolidin-1-yl) 6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoate;2-[6-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfanylpropanoyl]amino]hexanoylamino]butanedioic acid with MolForge

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Related Compounds

2-[6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoylamino]butanedioic acid;2-[6-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfanylpropanoyl]amino]hexanoylamino]butanedioic acid;methane
CID 158101059
2-[8-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfanylpropanoyl]amino]octanoylamino]pentanedioic acid
CID 88558125
bis(2,5-dioxopyrrolidin-1-yl) carbonate;bis(2,5-dioxopyrrolidin-1-yl) 2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanedioate;2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanedioic acid
CID 159986268
8-O-tert-butyl 1-O-(2,5-dioxopyrrolidin-1-yl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)octanedioate;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoic acid;1-hydroxypyrrolidine-2,5-dione
CID 165110757
(2,5-dioxopyrrolidin-1-yl) 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]acetate
CID 164795128
6-amino-2-[[2-benzyl-4-oxo-5-[[4-oxo-5-[(2-tritylsulfanylacetyl)amino]pentanoyl]amino]-6-phenylhexanoyl]amino]hexanoic acid;(2S)-2-[5-[[8-[[5-[[2-benzyl-4-oxo-6-phenyl-5-[[2-[[2-[(2-tritylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]hexanoyl]amino]-5-carboxypentyl]amino]-8-oxooctanoyl]amino]pentylcarbamoylamino]pentanedioic acid;bis(carbon dioxide);(2S)-2-[5-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctanoyl]amino]pentylcarbamoylamino]pentanedioic acid;methyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoate
CID 161013041
6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[[18-[(2-methylpropan-2-yl)oxy]-18-oxooctadecanoyl]amino]hexanoic acid
CID 121333096
6-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(tritylamino)butanoyl]amino]hexanoic acid
CID 101393129
3-[6-[[5-acetylsulfanyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]amino]hexanoylamino]-4-[(1-carboxy-3-oxopropan-2-yl)amino]-4-oxobutanoic acid
CID 89140306
(2,5-dioxopyrrolidin-1-yl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoate
CID 140855910
(2R)-3-[[(2R)-3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]disulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 11377525
(2,5-dioxopyrrolidin-1-yl) 3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
CID 90136786

Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);6-aminohexanoic acid;3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoic acid;2-[6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoylamino]butanedioic acid;(2,5-dioxopyrrolidin-1-yl) 3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate;(2,5-dioxopyrrolidin-1-yl) 6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoate;2-[6-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfanylpropanoyl]amino]hexanoylamino]butanedioic acid?
The IUPAC name of bis(acetonitrile);6-aminohexanoic acid;3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoic acid;2-[6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoylamino]butanedioic acid;(2,5-dioxopyrrolidin-1-yl) 3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate;(2,5-dioxopyrrolidin-1-yl) 6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoate;2-[6-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfanylpropanoyl]amino]hexanoylamino]butanedioic acid (CID 159029787) is bis(acetonitrile);6-aminohexanoic acid;3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoic acid;2-[6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoylamino]butanedioic acid;(2,5-dioxopyrrolidin-1-yl) 3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate;(2,5-dioxopyrrolidin-1-yl) 6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoate;2-[6-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfanylpropanoyl]amino]hexanoylamino]butanedioic acid.
What is the SMILES notation for bis(acetonitrile);6-aminohexanoic acid;3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoic acid;2-[6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoylamino]butanedioic acid;(2,5-dioxopyrrolidin-1-yl) 3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate;(2,5-dioxopyrrolidin-1-yl) 6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoate;2-[6-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfanylpropanoyl]amino]hexanoylamino]butanedioic acid?
The canonical SMILES for bis(acetonitrile);6-aminohexanoic acid;3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoic acid;2-[6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoylamino]butanedioic acid;(2,5-dioxopyrrolidin-1-yl) 3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate;(2,5-dioxopyrrolidin-1-yl) 6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoate;2-[6-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfanylpropanoyl]amino]hexanoylamino]butanedioic acid is CC#N.CC#N.CC(C)(C)SSCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCCCCC(=O)NC(CC(=O)O)C(=O)O.CC(C)(C)SSCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCCCCC(=O)O.CC(C)(C)SSCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCCCCC(=O)ON1C(=O)CCC1=O.CC(C)(C)SSCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.CC(C)(C)SSCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)ON1C(=O)CCC1=O.NCCCCCC(=O)O.O=C(O)CC(NC(=O)CCCCCNC(=O)C(CS)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of bis(acetonitrile);6-aminohexanoic acid;3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoic acid;2-[6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoylamino]butanedioic acid;(2,5-dioxopyrrolidin-1-yl) 3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate;(2,5-dioxopyrrolidin-1-yl) 6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoate;2-[6-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfanylpropanoyl]amino]hexanoylamino]butanedioic acid?
The InChIKey is JUSVWGCVAGUIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N3O8S2.C32H39N3O7S2.C28H33N3O8S.C28H36N2O5S2.C26H28N2O6S2.C22H25NO4S2.C6H13NO2.2C2H3N/c1-32(2,3)45-44-19-26(29(39)33-16-10-4-5-15-27(36)34-25(30(40)41)17-28(37)38)35-31(42)43-18-24-22-13-8-6-11-20(22)21-12-7-9-14-23(21)24;1-32(2,3)44-43-20-26(30(39)33-18-10-4-5-15-29(38)42-35-27(36)16-17-28(35)37)34-31(40)41-19-25-23-13-8-6-11-21(23)22-12-7-9-14-24(22)25;32-24(30-22(27(36)37)14-25(33)34)12-2-1-7-13-29-26(35)23(16-40)31-28(38)39-15-21-19-10-5-3-8-17(19)18-9-4-6-11-20(18)21;1-28(2,3)37-36-18-24(26(33)29-16-10-4-5-15-25(31)32)30-27(34)35-17-23-21-13-8-6-11-19(21)20-12-7-9-14-22(20)23;1-26(2,3)36-35-15-21(24(31)34-28-22(29)12-13-23(28)30)27-25(32)33-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20;1-22(2,3)29-28-13-19(20(24)25)23-21(26)27-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18;7-5-3-1-2-4-6(8)9;2*1-2-3/h6-9,11-14,24-26H,4-5,10,15-19H2,1-3H3,(H,33,39)(H,34,36)(H,35,42)(H,37,38)(H,40,41);6-9,11-14,25-26H,4-5,10,15-20H2,1-3H3,(H,33,39)(H,34,40);3-6,8-11,21-23,40H,1-2,7,12-16H2,(H,29,35)(H,30,32)(H,31,38)(H,33,34)(H,36,37);6-9,11-14,23-24H,4-5,10,15-18H2,1-3H3,(H,29,33)(H,30,34)(H,31,32);4-11,20-21H,12-15H2,1-3H3,(H,27,32);4-11,18-19H,12-13H2,1-3H3,(H,23,26)(H,24,25);1-5,7H2,(H,8,9);2*1H3.
What are the key properties of bis(acetonitrile);6-aminohexanoic acid;3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoic acid;2-[6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoylamino]butanedioic acid;(2,5-dioxopyrrolidin-1-yl) 3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate;(2,5-dioxopyrrolidin-1-yl) 6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoate;2-[6-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfanylpropanoyl]amino]hexanoylamino]butanedioic acid?
bis(acetonitrile);6-aminohexanoic acid;3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoic acid;2-[6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoylamino]butanedioic acid;(2,5-dioxopyrrolidin-1-yl) 3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate;(2,5-dioxopyrrolidin-1-yl) 6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoate;2-[6-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfanylpropanoyl]amino]hexanoylamino]butanedioic acid has a molecular weight of 3591.54 g/mol, XLogP of 30.02, 79 rotatable bonds, 21 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);6-aminohexanoic acid;3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoic acid;2-[6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoylamino]butanedioic acid;(2,5-dioxopyrrolidin-1-yl) 3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate;(2,5-dioxopyrrolidin-1-yl) 6-[[3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]hexanoate;2-[6-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfanylpropanoyl]amino]hexanoylamino]butanedioic acid is sourced from PubChem (CID 159029787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).