2-[[2-[[2-[[2-[[2-[[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[1,3-dihydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-(1-hydroxyethylideneamino)-2-methylpropylidene]amino]propylidene]amino]propylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-methylpentylidene]amino]propanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-N-(1-hydroxy-3-phenylpropan-2-yl)pentanediimidic acid

C90H149N23O25 — CID 162987029

About 2-[[2-[[2-[[2-[[2-[[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[1,3-dihydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-(1-hydroxyethylideneamino)-2-methylpropylidene]amino]propylidene]amino]propylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-methylpentylidene]amino]propanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-N-(1-hydroxy-3-phenylpropan-2-yl)pentanediimidic acid

2-[[2-[[2-[[2-[[2-[[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[1,3-dihydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-(1-hydroxyethylideneamino)-2-methylpropylidene]amino]propylidene]amino]propylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-methylpentylidene]amino]propanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-N-(1-hydroxy-3-phenylpropan-2-yl)pentanediimidic acid (PubChem CID 162987029) has the molecular formula C90H149N23O25 and a molecular weight of 1953.32 g/mol. Its IUPAC name is 2-[[2-[[2-[[2-[[2-[[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[1,3-dihydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-(1-hydroxyethylideneamino)-2-methylpropylidene]amino]propylidene]amino]propylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-methylpentylidene]amino]propanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-N-(1-hydroxy-3-phenylpropan-2-yl)pentanediimidic acid.

Molecular Properties

• Compound Name: 2-[[2-[[2-[[2-[[2-[[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[1,3-dihydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-(1-hydroxyethylideneamino)-2-methylpropylidene]amino]propylidene]amino]propylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-methylpentylidene]amino]propanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-N-(1-hydroxy-3-phenylpropan-2-yl)pentanediimidic acid
• PubChem CID: 162987029
• Molecular Formula: C90H149N23O25
• Molecular Weight: 1953.32 g/mol
• Exact Mass: 1952.11
• IUPAC Name: 2-[[2-[[2-[[2-[[2-[[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[1,3-dihydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-(1-hydroxyethylideneamino)-2-methylpropylidene]amino]propylidene]amino]propylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-methylpentylidene]amino]propanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-N-(1-hydroxy-3-phenylpropan-2-yl)pentanediimidic acid
• SMILES: [H]/N=C(\O)CCC(/N=C(\O)C(CC/C(O)=N/[H])/N=C(\O)C(C)(C)/N=C(\O)C(C)(C)/N=C(\O)C(/N=C(\O)C1CCCN1C(=O)C(C)/N=C(\O)C(/N=C(\O)C/N=C(\O)C(C)(C)/N=C(\O)C(/N=C(\O)C(C)(C)/N=C(\O)C(CC/C(O)=N/[H])/N=C(\O)C(C)(C)/N=C(\O)C(C)(C)/N=C(\O)C(C)/N=C(\O)C(CO)/N=C(\O)C(C)/N=C(\O)C(C)(C)/N=C(\C)O)C(C)CC)C(C)CC)C(C)C)/C(O)=N/C(CO)Cc1ccccc1
• InChI: InChI=1S/C90H149N23O25/c1-25-46(5)64(73(128)96-50(9)76(131)113-40-30-33-58(113)72(127)104-63(45(3)4)74(129)109-90(23,24)83(138)112-87(17,18)79(134)101-55(35-38-60(92)118)69(124)99-54(34-37-59(91)117)68(123)98-53(43-114)41-52-31-28-27-29-32-52)103-62(120)42-94-77(132)84(11,12)110-75(130)65(47(6)26-2)105-81(136)86(15,16)108-71(126)56(36-39-61(93)119)102-80(135)88(19,20)111-82(137)89(21,22)107-67(122)49(8)95-70(125)57(44-115)100-66(121)48(7)97-78(133)85(13,14)106-51(10)116/h27-29,31-32,45-50,53-58,63-65,114-115H,25-26,30,33-44H2,1-24H3,(H2,91,117)(H2,92,118)(H2,93,119)(H,94,132)(H,95,125)(H,96,128)(H,97,133)(H,98,123)(H,99,124)(H,100,121)(H,101,134)(H,102,135)(H,103,120)(H,104,127)(H,105,136)(H,106,116)(H,107,122)(H,108,126)(H,109,129)(H,110,130)(H,111,137)(H,112,138)
• InChIKey: ZVEMHQIZHINFMI-UHFFFAOYSA-N
• XLogP: 12.66
• TPSA: 812.22 Ų
• H-Bond Donors: 27
• H-Bond Acceptors: 25
• Rotatable Bonds: 56
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1953.32
LogP ≤ 5	12.66
H-Bond Donors ≤ 5	27
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-[[2-[[2-[[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[1,3-dihydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-(1-hydroxyethylideneamino)-2-methylpropylidene]amino]propylidene]amino]propylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-methylpentylidene]amino]propanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-N-(1-hydroxy-3-phenylpropan-2-yl)pentanediimidic acid?

The IUPAC name of 2-[[2-[[2-[[2-[[2-[[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[1,3-dihydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-(1-hydroxyethylideneamino)-2-methylpropylidene]amino]propylidene]amino]propylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-methylpentylidene]amino]propanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-N-(1-hydroxy-3-phenylpropan-2-yl)pentanediimidic acid (CID 162987029) is 2-[[2-[[2-[[2-[[2-[[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[1,3-dihydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-(1-hydroxyethylideneamino)-2-methylpropylidene]amino]propylidene]amino]propylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-methylpentylidene]amino]propanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-N-(1-hydroxy-3-phenylpropan-2-yl)pentanediimidic acid.

What is the SMILES notation for 2-[[2-[[2-[[2-[[2-[[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[1,3-dihydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-(1-hydroxyethylideneamino)-2-methylpropylidene]amino]propylidene]amino]propylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-methylpentylidene]amino]propanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-N-(1-hydroxy-3-phenylpropan-2-yl)pentanediimidic acid?

The canonical SMILES for 2-[[2-[[2-[[2-[[2-[[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[1,3-dihydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-(1-hydroxyethylideneamino)-2-methylpropylidene]amino]propylidene]amino]propylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-methylpentylidene]amino]propanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-N-(1-hydroxy-3-phenylpropan-2-yl)pentanediimidic acid is [H]/N=C(\O)CCC(/N=C(\O)C(CC/C(O)=N/[H])/N=C(\O)C(C)(C)/N=C(\O)C(C)(C)/N=C(\O)C(/N=C(\O)C1CCCN1C(=O)C(C)/N=C(\O)C(/N=C(\O)C/N=C(\O)C(C)(C)/N=C(\O)C(/N=C(\O)C(C)(C)/N=C(\O)C(CC/C(O)=N/[H])/N=C(\O)C(C)(C)/N=C(\O)C(C)(C)/N=C(\O)C(C)/N=C(\O)C(CO)/N=C(\O)C(C)/N=C(\O)C(C)(C)/N=C(\C)O)C(C)CC)C(C)CC)C(C)C)/C(O)=N/C(CO)Cc1ccccc1.

What is the InChIKey of 2-[[2-[[2-[[2-[[2-[[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[1,3-dihydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-(1-hydroxyethylideneamino)-2-methylpropylidene]amino]propylidene]amino]propylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-methylpentylidene]amino]propanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-N-(1-hydroxy-3-phenylpropan-2-yl)pentanediimidic acid?

The InChIKey is ZVEMHQIZHINFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H149N23O25/c1-25-46(5)64(73(128)96-50(9)76(131)113-40-30-33-58(113)72(127)104-63(45(3)4)74(129)109-90(23,24)83(138)112-87(17,18)79(134)101-55(35-38-60(92)118)69(124)99-54(34-37-59(91)117)68(123)98-53(43-114)41-52-31-28-27-29-32-52)103-62(120)42-94-77(132)84(11,12)110-75(130)65(47(6)26-2)105-81(136)86(15,16)108-71(126)56(36-39-61(93)119)102-80(135)88(19,20)111-82(137)89(21,22)107-67(122)49(8)95-70(125)57(44-115)100-66(121)48(7)97-78(133)85(13,14)106-51(10)116/h27-29,31-32,45-50,53-58,63-65,114-115H,25-26,30,33-44H2,1-24H3,(H2,91,117)(H2,92,118)(H2,93,119)(H,94,132)(H,95,125)(H,96,128)(H,97,133)(H,98,123)(H,99,124)(H,100,121)(H,101,134)(H,102,135)(H,103,120)(H,104,127)(H,105,136)(H,106,116)(H,107,122)(H,108,126)(H,109,129)(H,110,130)(H,111,137)(H,112,138).

What are the key properties of 2-[[2-[[2-[[2-[[2-[[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[1,3-dihydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-(1-hydroxyethylideneamino)-2-methylpropylidene]amino]propylidene]amino]propylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-methylpentylidene]amino]propanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-N-(1-hydroxy-3-phenylpropan-2-yl)pentanediimidic acid?

2-[[2-[[2-[[2-[[2-[[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[1,3-dihydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-(1-hydroxyethylideneamino)-2-methylpropylidene]amino]propylidene]amino]propylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-methylpentylidene]amino]propanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-N-(1-hydroxy-3-phenylpropan-2-yl)pentanediimidic acid has a molecular weight of 1953.32 g/mol, XLogP of 12.66, 56 rotatable bonds, 27 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[[2-[[2-[[2-[[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[1,3-dihydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-(1-hydroxyethylideneamino)-2-methylpropylidene]amino]propylidene]amino]propylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-methylpentylidene]amino]propanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-N-(1-hydroxy-3-phenylpropan-2-yl)pentanediimidic acid is sourced from PubChem (CID 162987029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).