ethane;2-[9H-fluoren-9-ylmethoxycarbonyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]amino]acetic acid;9H-fluoren-9-ylmethyl N-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]-N-(2-oxobutyl)carbamate;molecular hydrogen;triiodovanadium

C60H84I3N4O11V — CID 160704617

IUPACethane;2-[9H-fluoren-9-ylmethoxycarbonyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]amino]acetic acid;9H-fluoren-9-ylmethyl N-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]-N-(2-oxobutyl)carbamate;molecular hydrogen;triiodovanadium
SMILESCC.CC(C)(C)OC(=O)NCCCCCCN(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21.CCC(=O)CN(CCCCCCNC(=O)OC(C)(C)C)C(=O)OCC1c2ccccc2-c2ccccc21.I[V](I)I.[H][H]
InChIInChI=1S/C30H40N2O5.C28H36N2O6.C2H6.3HI.V.H2/c1-5-22(33)20-32(19-13-7-6-12-18-31-28(34)37-30(2,3)4)29(35)36-21-27-25-16-10-8-14-23(25)24-15-9-11-17-26(24)27;1-28(2,3)36-26(33)29-16-10-4-5-11-17-30(18-25(31)32)27(34)35-19-24-22-14-8-6-12-20(22)21-13-7-9-15-23(21)24;1-2;;;;;/h8-11,14-17,27H,5-7,12-13,18-21H2,1-4H3,(H,31,34);6-9,12-15,24H,4-5,10-11,16-19H2,1-3H3,(H,29,33)(H,31,32);1-2H3;3*1H;;1H/q;;;;;;+3;/p-3
InChIKeyRRBFVAFYMWSXPR-UHFFFAOYSA-K
MW1469.00 g/mol
LogP15.64
Rot. Bonds23

About ethane;2-[9H-fluoren-9-ylmethoxycarbonyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]amino]acetic acid;9H-fluoren-9-ylmethyl N-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]-N-(2-oxobutyl)carbamate;molecular hydrogen;triiodovanadium

ethane;2-[9H-fluoren-9-ylmethoxycarbonyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]amino]acetic acid;9H-fluoren-9-ylmethyl N-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]-N-(2-oxobutyl)carbamate;molecular hydrogen;triiodovanadium (PubChem CID 160704617) has the molecular formula C60H84I3N4O11V and a molecular weight of 1469.00 g/mol. Its IUPAC name is ethane;2-[9H-fluoren-9-ylmethoxycarbonyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]amino]acetic acid;9H-fluoren-9-ylmethyl N-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]-N-(2-oxobutyl)carbamate;molecular hydrogen;triiodovanadium.

Molecular Properties

Compound Nameethane;2-[9H-fluoren-9-ylmethoxycarbonyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]amino]acetic acid;9H-fluoren-9-ylmethyl N-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]-N-(2-oxobutyl)carbamate;molecular hydrogen;triiodovanadium
PubChem CID160704617
Molecular FormulaC60H84I3N4O11V
Molecular Weight1469.00 g/mol
Exact Mass1468.27
IUPAC Nameethane;2-[9H-fluoren-9-ylmethoxycarbonyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]amino]acetic acid;9H-fluoren-9-ylmethyl N-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]-N-(2-oxobutyl)carbamate;molecular hydrogen;triiodovanadium
SMILESCC.CC(C)(C)OC(=O)NCCCCCCN(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21.CCC(=O)CN(CCCCCCNC(=O)OC(C)(C)C)C(=O)OCC1c2ccccc2-c2ccccc21.I[V](I)I.[H][H]
InChIInChI=1S/C30H40N2O5.C28H36N2O6.C2H6.3HI.V.H2/c1-5-22(33)20-32(19-13-7-6-12-18-31-28(34)37-30(2,3)4)29(35)36-21-27-25-16-10-8-14-23(25)24-15-9-11-17-26(24)27;1-28(2,3)36-26(33)29-16-10-4-5-11-17-30(18-25(31)32)27(34)35-19-24-22-14-8-6-12-20(22)21-13-7-9-15-23(21)24;1-2;;;;;/h8-11,14-17,27H,5-7,12-13,18-21H2,1-4H3,(H,31,34);6-9,12-15,24H,4-5,10-11,16-19H2,1-3H3,(H,29,33)(H,31,32);1-2H3;3*1H;;1H/q;;;;;;+3;/p-3
InChIKeyRRBFVAFYMWSXPR-UHFFFAOYSA-K
XLogP15.64
TPSA190.11 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001469.00
LogP ≤ 515.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze ethane;2-[9H-fluoren-9-ylmethoxycarbonyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]amino]acetic acid;9H-fluoren-9-ylmethyl N-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]-N-(2-oxobutyl)carbamate;molecular hydrogen;triiodovanadium with MolForge

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Related Compounds

2-[5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid
CID 177475678
2-[9H-fluoren-9-ylmethoxycarbonyl-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]amino]acetic acid
CID 10836802
2-[9H-fluoren-9-ylmethoxycarbonyl(pentyl)amino]acetic acid
CID 125449008
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]acetic acid
CID 11060939
2-[9H-fluoren-9-ylmethoxycarbonyl-[[4-fluoro-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]phenyl]methyl]amino]acetic acid
CID 177339905
2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl]amino]acetic acid
CID 118650117
(2S)-2-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 149436991
(2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 97047006
tert-butyl N-[7-(9H-fluoren-9-ylmethoxycarbonylcarbamothioylamino)heptyl]carbamate
CID 170367360
tert-butyl N-[6-(9H-fluoren-9-ylmethoxycarbonylcarbamothioylamino)hexyl]carbamate
CID 170367359
2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-(methylamino)ethoxy]ethyl]amino]acetic acid
CID 156691934
tert-butyl N-[2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl-[2-[2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl-[2-[2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl-[2-[2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl-[2-[2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl-[2-oxo-2-[[6-oxo-6-(propylamino)hexyl]amino]ethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethyl]carbamate
CID 59809078

Frequently Asked Questions

What is the IUPAC name of ethane;2-[9H-fluoren-9-ylmethoxycarbonyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]amino]acetic acid;9H-fluoren-9-ylmethyl N-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]-N-(2-oxobutyl)carbamate;molecular hydrogen;triiodovanadium?
The IUPAC name of ethane;2-[9H-fluoren-9-ylmethoxycarbonyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]amino]acetic acid;9H-fluoren-9-ylmethyl N-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]-N-(2-oxobutyl)carbamate;molecular hydrogen;triiodovanadium (CID 160704617) is ethane;2-[9H-fluoren-9-ylmethoxycarbonyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]amino]acetic acid;9H-fluoren-9-ylmethyl N-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]-N-(2-oxobutyl)carbamate;molecular hydrogen;triiodovanadium.
What is the SMILES notation for ethane;2-[9H-fluoren-9-ylmethoxycarbonyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]amino]acetic acid;9H-fluoren-9-ylmethyl N-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]-N-(2-oxobutyl)carbamate;molecular hydrogen;triiodovanadium?
The canonical SMILES for ethane;2-[9H-fluoren-9-ylmethoxycarbonyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]amino]acetic acid;9H-fluoren-9-ylmethyl N-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]-N-(2-oxobutyl)carbamate;molecular hydrogen;triiodovanadium is CC.CC(C)(C)OC(=O)NCCCCCCN(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21.CCC(=O)CN(CCCCCCNC(=O)OC(C)(C)C)C(=O)OCC1c2ccccc2-c2ccccc21.I[V](I)I.[H][H].
What is the InChIKey of ethane;2-[9H-fluoren-9-ylmethoxycarbonyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]amino]acetic acid;9H-fluoren-9-ylmethyl N-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]-N-(2-oxobutyl)carbamate;molecular hydrogen;triiodovanadium?
The InChIKey is RRBFVAFYMWSXPR-UHFFFAOYSA-K. The full InChI is InChI=1S/C30H40N2O5.C28H36N2O6.C2H6.3HI.V.H2/c1-5-22(33)20-32(19-13-7-6-12-18-31-28(34)37-30(2,3)4)29(35)36-21-27-25-16-10-8-14-23(25)24-15-9-11-17-26(24)27;1-28(2,3)36-26(33)29-16-10-4-5-11-17-30(18-25(31)32)27(34)35-19-24-22-14-8-6-12-20(22)21-13-7-9-15-23(21)24;1-2;;;;;/h8-11,14-17,27H,5-7,12-13,18-21H2,1-4H3,(H,31,34);6-9,12-15,24H,4-5,10-11,16-19H2,1-3H3,(H,29,33)(H,31,32);1-2H3;3*1H;;1H/q;;;;;;+3;/p-3.
What are the key properties of ethane;2-[9H-fluoren-9-ylmethoxycarbonyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]amino]acetic acid;9H-fluoren-9-ylmethyl N-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]-N-(2-oxobutyl)carbamate;molecular hydrogen;triiodovanadium?
ethane;2-[9H-fluoren-9-ylmethoxycarbonyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]amino]acetic acid;9H-fluoren-9-ylmethyl N-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]-N-(2-oxobutyl)carbamate;molecular hydrogen;triiodovanadium has a molecular weight of 1469.00 g/mol, XLogP of 15.64, 23 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[9H-fluoren-9-ylmethoxycarbonyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]amino]acetic acid;9H-fluoren-9-ylmethyl N-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]-N-(2-oxobutyl)carbamate;molecular hydrogen;triiodovanadium is sourced from PubChem (CID 160704617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).