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

C165H171N15O24 — CID 71312617

IUPAC9H-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
SMILESO=CCCNC(=O)C(CCCCNC(=O)C(CCCCNC(=O)C(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)C(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)C(CCCCNC(=O)C(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)C(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C165H171N15O24/c181-95-47-94-169-152(183)145(174-155(186)148(176-157(188)150(180-165(196)204-103-143-134-78-31-15-62-118(134)119-63-16-32-79-135(119)143)86-39-46-93-173-161(192)200-99-139-126-70-23-7-54-110(126)111-55-8-24-71-127(111)139)84-35-42-89-168-154(185)147(178-163(194)202-101-141-130-74-27-11-58-114(130)115-59-12-28-75-131(115)141)83-37-44-91-171-159(190)198-97-137-122-66-19-3-50-106(122)107-51-4-20-67-123(107)137)81-33-40-87-166-151(182)144(175-156(187)149(179-164(195)203-102-142-132-76-29-13-60-116(132)117-61-14-30-77-133(117)142)85-38-45-92-172-160(191)199-98-138-124-68-21-5-52-108(124)109-53-6-22-69-125(109)138)80-34-41-88-167-153(184)146(177-162(193)201-100-140-128-72-25-9-56-112(128)113-57-10-26-73-129(113)140)82-36-43-90-170-158(189)197-96-136-120-64-17-1-48-104(120)105-49-2-18-65-121(105)136/h1-32,48-79,95,136-150H,33-47,80-94,96-103H2,(H,166,182)(H,167,184)(H,168,185)(H,169,183)(H,170,189)(H,171,190)(H,172,191)(H,173,192)(H,174,186)(H,175,187)(H,176,188)(H,177,193)(H,178,194)(H,179,195)(H,180,196)
InChIKeyHEBPRDGZRCUIRP-UHFFFAOYSA-N
MW2748.26 g/mol
LogP25.47
Rot. Bonds68

About 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

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 (PubChem CID 71312617) has the molecular formula C165H171N15O24 and a molecular weight of 2748.26 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9H-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
PubChem CID71312617
Molecular FormulaC165H171N15O24
Molecular Weight2748.26 g/mol
Exact Mass2746.26
IUPAC Name9H-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
SMILESO=CCCNC(=O)C(CCCCNC(=O)C(CCCCNC(=O)C(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)C(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)C(CCCCNC(=O)C(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)C(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C165H171N15O24/c181-95-47-94-169-152(183)145(174-155(186)148(176-157(188)150(180-165(196)204-103-143-134-78-31-15-62-118(134)119-63-16-32-79-135(119)143)86-39-46-93-173-161(192)200-99-139-126-70-23-7-54-110(126)111-55-8-24-71-127(111)139)84-35-42-89-168-154(185)147(178-163(194)202-101-141-130-74-27-11-58-114(130)115-59-12-28-75-131(115)141)83-37-44-91-171-159(190)198-97-137-122-66-19-3-50-106(122)107-51-4-20-67-123(107)137)81-33-40-87-166-151(182)144(175-156(187)149(179-164(195)203-102-142-132-76-29-13-60-116(132)117-61-14-30-77-133(117)142)85-38-45-92-172-160(191)199-98-138-124-68-21-5-52-108(124)109-53-6-22-69-125(109)138)80-34-41-88-167-153(184)146(177-162(193)201-100-140-128-72-25-9-56-112(128)113-57-10-26-73-129(113)140)82-36-43-90-170-158(189)197-96-136-120-64-17-1-48-104(120)105-49-2-18-65-121(105)136/h1-32,48-79,95,136-150H,33-47,80-94,96-103H2,(H,166,182)(H,167,184)(H,168,185)(H,169,183)(H,170,189)(H,171,190)(H,172,191)(H,173,192)(H,174,186)(H,175,187)(H,176,188)(H,177,193)(H,178,194)(H,179,195)(H,180,196)
InChIKeyHEBPRDGZRCUIRP-UHFFFAOYSA-N
XLogP25.47
TPSA527.41 Ų
H-Bond Donors15
H-Bond Acceptors24
Rotatable Bonds68
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002748.26
LogP ≤ 525.47
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 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 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
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
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
methyl (2S)-2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 75487884
[(2S)-2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl] (2S)-2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 54560651
tert-butyl N-[5-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(methylamino)-6-oxohexyl]carbamate
CID 135015939
4-[[1-(ethylamino)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxohexan-2-yl]amino]-4-oxobutanoic acid
CID 166964497
9H-fluoren-9-ylmethyl N-[6-[[6-[[1-[[1-[[1-[[1-[[1-[[6-(ethylamino)-6-oxohexyl]amino]-1-oxo-6-(propylamino)hexan-2-yl]amino]-1-oxo-6-(propylamino)hexan-2-yl]amino]-1-oxo-6-(propylamino)hexan-2-yl]amino]-1-oxo-6-(propylamino)hexan-2-yl]amino]-1-oxo-6-(propylamino)hexan-2-yl]amino]-6-oxohexyl]amino]-6-oxohexyl]carbamate
CID 59809123
(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhexanoic acid
CID 90132724
methyl 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]heptanoate
CID 59866849
6-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 53394943

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=CCCNC(=O)C(CCCCNC(=O)C(CCCCNC(=O)C(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)C(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)C(CCCCNC(=O)C(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)C(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 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?
The InChIKey is HEBPRDGZRCUIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C165H171N15O24/c181-95-47-94-169-152(183)145(174-155(186)148(176-157(188)150(180-165(196)204-103-143-134-78-31-15-62-118(134)119-63-16-32-79-135(119)143)86-39-46-93-173-161(192)200-99-139-126-70-23-7-54-110(126)111-55-8-24-71-127(111)139)84-35-42-89-168-154(185)147(178-163(194)202-101-141-130-74-27-11-58-114(130)115-59-12-28-75-131(115)141)83-37-44-91-171-159(190)198-97-137-122-66-19-3-50-106(122)107-51-4-20-67-123(107)137)81-33-40-87-166-151(182)144(175-156(187)149(179-164(195)203-102-142-132-76-29-13-60-116(132)117-61-14-30-77-133(117)142)85-38-45-92-172-160(191)199-98-138-124-68-21-5-52-108(124)109-53-6-22-69-125(109)138)80-34-41-88-167-153(184)146(177-162(193)201-100-140-128-72-25-9-56-112(128)113-57-10-26-73-129(113)140)82-36-43-90-170-158(189)197-96-136-120-64-17-1-48-104(120)105-49-2-18-65-121(105)136/h1-32,48-79,95,136-150H,33-47,80-94,96-103H2,(H,166,182)(H,167,184)(H,168,185)(H,169,183)(H,170,189)(H,171,190)(H,172,191)(H,173,192)(H,174,186)(H,175,187)(H,176,188)(H,177,193)(H,178,194)(H,179,195)(H,180,196).
What are the key properties of 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?
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 has a molecular weight of 2748.26 g/mol, XLogP of 25.47, 68 rotatable bonds, 15 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 71312617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).