benzyl N-[(4R)-6-methyl-2-oxo-4-[[(2S)-1-oxo-3-(2-oxocyclopentyl)propan-2-yl]carbamoyl]heptyl]carbamate

C25H34N2O6 — CID 160941293

IUPACbenzyl N-[(4R)-6-methyl-2-oxo-4-[[(2S)-1-oxo-3-(2-oxocyclopentyl)propan-2-yl]carbamoyl]heptyl]carbamate
SMILESCC(C)C[C@H](CC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)CC1CCCC1=O
InChIInChI=1S/C25H34N2O6/c1-17(2)11-20(24(31)27-21(15-28)12-19-9-6-10-23(19)30)13-22(29)14-26-25(32)33-16-18-7-4-3-5-8-18/h3-5,7-8,15,17,19-21H,6,9-14,16H2,1-2H3,(H,26,32)(H,27,31)/t19?,20-,21+/m1/s1
InChIKeySUNRYBJYWSFDGD-JUODMZLFSA-N
MW458.56 g/mol
LogP2.98
Rot. Bonds13

About benzyl N-[(4R)-6-methyl-2-oxo-4-[[(2S)-1-oxo-3-(2-oxocyclopentyl)propan-2-yl]carbamoyl]heptyl]carbamate

benzyl N-[(4R)-6-methyl-2-oxo-4-[[(2S)-1-oxo-3-(2-oxocyclopentyl)propan-2-yl]carbamoyl]heptyl]carbamate (PubChem CID 160941293) has the molecular formula C25H34N2O6 and a molecular weight of 458.56 g/mol. Its IUPAC name is benzyl N-[(4R)-6-methyl-2-oxo-4-[[(2S)-1-oxo-3-(2-oxocyclopentyl)propan-2-yl]carbamoyl]heptyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(4R)-6-methyl-2-oxo-4-[[(2S)-1-oxo-3-(2-oxocyclopentyl)propan-2-yl]carbamoyl]heptyl]carbamate
PubChem CID160941293
Molecular FormulaC25H34N2O6
Molecular Weight458.56 g/mol
Exact Mass458.24
IUPAC Namebenzyl N-[(4R)-6-methyl-2-oxo-4-[[(2S)-1-oxo-3-(2-oxocyclopentyl)propan-2-yl]carbamoyl]heptyl]carbamate
SMILESCC(C)C[C@H](CC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)CC1CCCC1=O
InChIInChI=1S/C25H34N2O6/c1-17(2)11-20(24(31)27-21(15-28)12-19-9-6-10-23(19)30)13-22(29)14-26-25(32)33-16-18-7-4-3-5-8-18/h3-5,7-8,15,17,19-21H,6,9-14,16H2,1-2H3,(H,26,32)(H,27,31)/t19?,20-,21+/m1/s1
InChIKeySUNRYBJYWSFDGD-JUODMZLFSA-N
XLogP2.98
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze benzyl N-[(4R)-6-methyl-2-oxo-4-[[(2S)-1-oxo-3-(2-oxocyclopentyl)propan-2-yl]carbamoyl]heptyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(benzyl N-[(2S,5R)-5-[[(2S)-1-cyano-1-hydroxy-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]-7-methyl-1-naphthalen-1-yl-3-oxooctan-2-yl]carbamate);benzyl N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]carbamate
CID 158494901
(2R,5S)-6-(4-fluorophenyl)-5-methyl-2-(2-methylpropyl)-4-oxo-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]hexanamide
CID 158482074
benzyl N-[(2R,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]carbamate;(2R,5S)-2-(2-methylpropyl)-6-naphthalen-1-yl-4-oxo-N-[(2R)-5-oxo-1-[(1S)-2-oxocyclohexyl]pentan-2-yl]-5-[(2-phenylacetyl)amino]hexanamide;(2R,5S)-2-(2-methylpropyl)-6-naphthalen-1-yl-4-oxo-N-[(E,2S)-5-oxo-1-[(1S)-2-oxocyclohexyl]pent-3-en-2-yl]-5-[(2-phenylacetyl)amino]hexanamide
CID 162233769
4-methyl-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]pentanamide
CID 167600451
2-(2-methylpropyl)-5-oxo-6-(phenylmethoxycarbonylamino)hexanoic acid
CID 143135233
benzyl N-[(2S,5R)-5-[[(2S)-4-fluoro-3-hydroxy-1-[(1S)-2-oxocyclohexyl]butan-2-yl]carbamoyl]-7-methyl-1-naphthalen-1-yl-3-oxooctan-2-yl]carbamate
CID 160708176
benzyl N-[(2R)-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 15296014
benzyl N-[(2S)-5-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]hexan-2-yl]carbamate
CID 166881821
benzyl N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-4,4,4-trifluoro-3-hydroxy-1-[(1S)-2-oxocyclohexyl]butan-2-yl]carbamoyl]octan-2-yl]carbamate
CID 157346892
benzyl N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxobutan-2-yl]carbamate
CID 143239745
benzyl N-[(2R)-4-methyl-1-[[(2S)-4-methyl-1-[[(2R)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate
CID 45104083
benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxobutan-2-yl]amino]pentan-2-yl]amino]-1-oxopentan-2-yl]carbamate
CID 59117854

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(4R)-6-methyl-2-oxo-4-[[(2S)-1-oxo-3-(2-oxocyclopentyl)propan-2-yl]carbamoyl]heptyl]carbamate?
The IUPAC name of benzyl N-[(4R)-6-methyl-2-oxo-4-[[(2S)-1-oxo-3-(2-oxocyclopentyl)propan-2-yl]carbamoyl]heptyl]carbamate (CID 160941293) is benzyl N-[(4R)-6-methyl-2-oxo-4-[[(2S)-1-oxo-3-(2-oxocyclopentyl)propan-2-yl]carbamoyl]heptyl]carbamate.
What is the SMILES notation for benzyl N-[(4R)-6-methyl-2-oxo-4-[[(2S)-1-oxo-3-(2-oxocyclopentyl)propan-2-yl]carbamoyl]heptyl]carbamate?
The canonical SMILES for benzyl N-[(4R)-6-methyl-2-oxo-4-[[(2S)-1-oxo-3-(2-oxocyclopentyl)propan-2-yl]carbamoyl]heptyl]carbamate is CC(C)C[C@H](CC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)CC1CCCC1=O.
What is the InChIKey of benzyl N-[(4R)-6-methyl-2-oxo-4-[[(2S)-1-oxo-3-(2-oxocyclopentyl)propan-2-yl]carbamoyl]heptyl]carbamate?
The InChIKey is SUNRYBJYWSFDGD-JUODMZLFSA-N. The full InChI is InChI=1S/C25H34N2O6/c1-17(2)11-20(24(31)27-21(15-28)12-19-9-6-10-23(19)30)13-22(29)14-26-25(32)33-16-18-7-4-3-5-8-18/h3-5,7-8,15,17,19-21H,6,9-14,16H2,1-2H3,(H,26,32)(H,27,31)/t19?,20-,21+/m1/s1.
What are the key properties of benzyl N-[(4R)-6-methyl-2-oxo-4-[[(2S)-1-oxo-3-(2-oxocyclopentyl)propan-2-yl]carbamoyl]heptyl]carbamate?
benzyl N-[(4R)-6-methyl-2-oxo-4-[[(2S)-1-oxo-3-(2-oxocyclopentyl)propan-2-yl]carbamoyl]heptyl]carbamate has a molecular weight of 458.56 g/mol, XLogP of 2.98, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(4R)-6-methyl-2-oxo-4-[[(2S)-1-oxo-3-(2-oxocyclopentyl)propan-2-yl]carbamoyl]heptyl]carbamate is sourced from PubChem (CID 160941293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).