9H-fluoren-9-yl N-[6-amino-1-[[5-amino-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]carbamate

C35H54N8O5 — CID 10032384

IUPAC9H-fluoren-9-yl N-[6-amino-1-[[5-amino-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]carbamate
SMILESNCCCCC(NC(=O)OC1c2ccccc2-c2ccccc21)C(=O)NC(CCC(N)=O)C(=O)NCCCNCCCCNCCCN
InChIInChI=1S/C35H54N8O5/c36-18-6-5-15-29(43-35(47)48-32-27-13-3-1-11-25(27)26-12-2-4-14-28(26)32)34(46)42-30(16-17-31(38)44)33(45)41-24-10-23-40-21-8-7-20-39-22-9-19-37/h1-4,11-14,29-30,32,39-40H,5-10,15-24,36-37H2,(H2,38,44)(H,41,45)(H,42,46)(H,43,47)
InChIKeyLKLIVYCHPKTUID-UHFFFAOYSA-N
MW666.87 g/mol
LogP1.54
Rot. Bonds24

About 9H-fluoren-9-yl N-[6-amino-1-[[5-amino-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]carbamate

9H-fluoren-9-yl N-[6-amino-1-[[5-amino-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]carbamate (PubChem CID 10032384) has the molecular formula C35H54N8O5 and a molecular weight of 666.87 g/mol. Its IUPAC name is 9H-fluoren-9-yl N-[6-amino-1-[[5-amino-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-yl N-[6-amino-1-[[5-amino-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]carbamate
PubChem CID10032384
Molecular FormulaC35H54N8O5
Molecular Weight666.87 g/mol
Exact Mass666.42
IUPAC Name9H-fluoren-9-yl N-[6-amino-1-[[5-amino-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]carbamate
SMILESNCCCCC(NC(=O)OC1c2ccccc2-c2ccccc21)C(=O)NC(CCC(N)=O)C(=O)NCCCNCCCCNCCCN
InChIInChI=1S/C35H54N8O5/c36-18-6-5-15-29(43-35(47)48-32-27-13-3-1-11-25(27)26-12-2-4-14-28(26)32)34(46)42-30(16-17-31(38)44)33(45)41-24-10-23-40-21-8-7-20-39-22-9-19-37/h1-4,11-14,29-30,32,39-40H,5-10,15-24,36-37H2,(H2,38,44)(H,41,45)(H,42,46)(H,43,47)
InChIKeyLKLIVYCHPKTUID-UHFFFAOYSA-N
XLogP1.54
TPSA215.72 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds24
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.87
LogP ≤ 51.54
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 9H-fluoren-9-yl N-[6-amino-1-[[5-amino-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]carbamate with MolForge

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Related Compounds

6-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid
CID 10974792
2,6-bis[2,6-bis[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]hexanoylamino]hexanoic acid
CID 166508242
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
9H-fluoren-9-ylmethyl N-[(2R)-6-amino-1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-1-oxohexan-2-yl]carbamate
CID 176902963
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
benzyl N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamate
CID 73350441
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)-N-[(2S)-6-amino-1-[4-(diaminomethylideneamino)butylamino]-1-oxohexan-2-yl]-2-[[2-oxo-2-(4-phenylphenyl)ethyl]amino]pentanediamide
CID 71720082
methyl N-[2-[2,6-bis[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]hexanoylamino]ethyl]methanimidate
CID 20735801
benzyl N-[1-[[1-(2-aminoethylamino)-6-[2,6-bis(phenylmethoxycarbonylamino)hexanoylamino]-1-oxohexan-2-yl]amino]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamate
CID 141217073
(4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(5-hydroxypentylamino)-5-oxopentanoic acid
CID 67332081
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 9H-fluoren-9-yl N-[6-amino-1-[[5-amino-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-yl N-[6-amino-1-[[5-amino-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]carbamate (CID 10032384) is 9H-fluoren-9-yl N-[6-amino-1-[[5-amino-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-yl N-[6-amino-1-[[5-amino-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-yl N-[6-amino-1-[[5-amino-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]carbamate is NCCCCC(NC(=O)OC1c2ccccc2-c2ccccc21)C(=O)NC(CCC(N)=O)C(=O)NCCCNCCCCNCCCN.
What is the InChIKey of 9H-fluoren-9-yl N-[6-amino-1-[[5-amino-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]carbamate?
The InChIKey is LKLIVYCHPKTUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H54N8O5/c36-18-6-5-15-29(43-35(47)48-32-27-13-3-1-11-25(27)26-12-2-4-14-28(26)32)34(46)42-30(16-17-31(38)44)33(45)41-24-10-23-40-21-8-7-20-39-22-9-19-37/h1-4,11-14,29-30,32,39-40H,5-10,15-24,36-37H2,(H2,38,44)(H,41,45)(H,42,46)(H,43,47).
What are the key properties of 9H-fluoren-9-yl N-[6-amino-1-[[5-amino-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]carbamate?
9H-fluoren-9-yl N-[6-amino-1-[[5-amino-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]carbamate has a molecular weight of 666.87 g/mol, XLogP of 1.54, 24 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl N-[6-amino-1-[[5-amino-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]carbamate is sourced from PubChem (CID 10032384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).