2-[[2-[[2-[[2-[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid

C120H122N10O18 — CID 166508224

IUPAC2-[[2-[[2-[[2-[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
SMILESO=C(NCCCCC(NC(=O)C(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)C(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)C(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)C(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C120H122N10O18/c131-110(127-107(61-27-32-66-123-117(139)145-71-101-91-51-17-5-39-79(91)80-40-6-18-52-92(80)101)112(133)129-109(114(135)136)63-29-34-68-125-119(141)147-73-103-95-55-21-9-43-83(95)84-44-10-22-56-96(84)103)105(59-25-30-64-121-115(137)143-69-99-87-47-13-1-35-75(87)76-36-2-14-48-88(76)99)126-111(132)106(60-26-31-65-122-116(138)144-70-100-89-49-15-3-37-77(89)78-38-4-16-50-90(78)100)128-113(134)108(130-120(142)148-74-104-97-57-23-11-45-85(97)86-46-12-24-58-98(86)104)62-28-33-67-124-118(140)146-72-102-93-53-19-7-41-81(93)82-42-8-20-54-94(82)102/h1-24,35-58,99-109H,25-34,59-74H2,(H,121,137)(H,122,138)(H,123,139)(H,124,140)(H,125,141)(H,126,132)(H,127,131)(H,128,134)(H,129,133)(H,130,142)(H,135,136)
InChIKeyWMQYNIZJEKATKJ-UHFFFAOYSA-N
MW1992.35 g/mol
LogP19.46
Rot. Bonds47

About 2-[[2-[[2-[[2-[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid

2-[[2-[[2-[[2-[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid (PubChem CID 166508224) has the molecular formula C120H122N10O18 and a molecular weight of 1992.35 g/mol. Its IUPAC name is 2-[[2-[[2-[[2-[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid.

Molecular Properties

Compound Name2-[[2-[[2-[[2-[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
PubChem CID166508224
Molecular FormulaC120H122N10O18
Molecular Weight1992.35 g/mol
Exact Mass1990.89
IUPAC Name2-[[2-[[2-[[2-[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
SMILESO=C(NCCCCC(NC(=O)C(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)C(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)C(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)C(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C120H122N10O18/c131-110(127-107(61-27-32-66-123-117(139)145-71-101-91-51-17-5-39-79(91)80-40-6-18-52-92(80)101)112(133)129-109(114(135)136)63-29-34-68-125-119(141)147-73-103-95-55-21-9-43-83(95)84-44-10-22-56-96(84)103)105(59-25-30-64-121-115(137)143-69-99-87-47-13-1-35-75(87)76-36-2-14-48-88(76)99)126-111(132)106(60-26-31-65-122-116(138)144-70-100-89-49-15-3-37-77(89)78-38-4-16-50-90(78)100)128-113(134)108(130-120(142)148-74-104-97-57-23-11-45-85(97)86-46-12-24-58-98(86)104)62-28-33-67-124-118(140)146-72-102-93-53-19-7-41-81(93)82-42-8-20-54-94(82)102/h1-24,35-58,99-109H,25-34,59-74H2,(H,121,137)(H,122,138)(H,123,139)(H,124,140)(H,125,141)(H,126,132)(H,127,131)(H,128,134)(H,129,133)(H,130,142)(H,135,136)
InChIKeyWMQYNIZJEKATKJ-UHFFFAOYSA-N
XLogP19.46
TPSA383.68 Ų
H-Bond Donors11
H-Bond Acceptors17
Rotatable Bonds47
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001992.35
LogP ≤ 519.46
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 2-[[2-[[2-[[2-[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid with MolForge

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Related Compounds

2,6-bis[2,6-bis[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]hexanoylamino]hexanoic acid
CID 166508242
6-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 53394943
9H-fluoren-9-ylmethyl N-[1-[[1-[[6-[2,6-bis[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]hexanoylamino]-1-oxo-1-(3-oxopropylamino)hexan-2-yl]amino]-6-[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]-1-oxohexan-2-yl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxohexan-2-yl]carbamate
CID 71312617
(2R)-2-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 175845355
[(2S)-2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl] (2S)-2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 54560651
methyl (2S)-2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 75487884
(2S)-5-(carbamoylamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 2756127
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)heptanedioic acid
CID 93478024
(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhexanoic acid
CID 90132724
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(methylamino)hexanoic acid;hydrochloride
CID 175987361
methyl N-[2-[2,6-bis[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]hexanoylamino]ethyl]methanimidate
CID 20735801
methanol;methyl N-[2-[2,6-bis[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]hexanoylamino]ethyl]methanimidate
CID 91379059

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-[[2-[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid?
The IUPAC name of 2-[[2-[[2-[[2-[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid (CID 166508224) is 2-[[2-[[2-[[2-[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid.
What is the SMILES notation for 2-[[2-[[2-[[2-[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid?
The canonical SMILES for 2-[[2-[[2-[[2-[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid is O=C(NCCCCC(NC(=O)C(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)C(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)C(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)C(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[[2-[[2-[[2-[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid?
The InChIKey is WMQYNIZJEKATKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C120H122N10O18/c131-110(127-107(61-27-32-66-123-117(139)145-71-101-91-51-17-5-39-79(91)80-40-6-18-52-92(80)101)112(133)129-109(114(135)136)63-29-34-68-125-119(141)147-73-103-95-55-21-9-43-83(95)84-44-10-22-56-96(84)103)105(59-25-30-64-121-115(137)143-69-99-87-47-13-1-35-75(87)76-36-2-14-48-88(76)99)126-111(132)106(60-26-31-65-122-116(138)144-70-100-89-49-15-3-37-77(89)78-38-4-16-50-90(78)100)128-113(134)108(130-120(142)148-74-104-97-57-23-11-45-85(97)86-46-12-24-58-98(86)104)62-28-33-67-124-118(140)146-72-102-93-53-19-7-41-81(93)82-42-8-20-54-94(82)102/h1-24,35-58,99-109H,25-34,59-74H2,(H,121,137)(H,122,138)(H,123,139)(H,124,140)(H,125,141)(H,126,132)(H,127,131)(H,128,134)(H,129,133)(H,130,142)(H,135,136).
What are the key properties of 2-[[2-[[2-[[2-[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid?
2-[[2-[[2-[[2-[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid has a molecular weight of 1992.35 g/mol, XLogP of 19.46, 47 rotatable bonds, 11 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-[[2-[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid is sourced from PubChem (CID 166508224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).