benzyl N-[(2S)-1-[[1-[[(2R)-2-cyclopentyl-1-[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

C39H52N4O5 — CID 15522191

IUPACbenzyl N-[(2S)-1-[[1-[[(2R)-2-cyclopentyl-1-[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(C)(C)C(=O)N[C@@](C)(C(=O)N(C)[C@H](C)c1cccc2ccccc12)C1CCCC1
InChIInChI=1S/C39H52N4O5/c1-26(2)24-33(40-37(47)48-25-28-16-9-8-10-17-28)34(44)41-38(4,5)35(45)42-39(6,30-20-12-13-21-30)36(46)43(7)27(3)31-23-15-19-29-18-11-14-22-32(29)31/h8-11,14-19,22-23,26-27,30,33H,12-13,20-21,24-25H2,1-7H3,(H,40,47)(H,41,44)(H,42,45)/t27-,33+,39-/m1/s1
InChIKeyFZBNKKHCBKJGBE-BHGLPOINSA-N
MW656.87 g/mol
LogP6.66
Rot. Bonds13

About benzyl N-[(2S)-1-[[1-[[(2R)-2-cyclopentyl-1-[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

benzyl N-[(2S)-1-[[1-[[(2R)-2-cyclopentyl-1-[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 15522191) has the molecular formula C39H52N4O5 and a molecular weight of 656.87 g/mol. Its IUPAC name is benzyl N-[(2S)-1-[[1-[[(2R)-2-cyclopentyl-1-[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-[[1-[[(2R)-2-cyclopentyl-1-[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
PubChem CID15522191
Molecular FormulaC39H52N4O5
Molecular Weight656.87 g/mol
Exact Mass656.39
IUPAC Namebenzyl N-[(2S)-1-[[1-[[(2R)-2-cyclopentyl-1-[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(C)(C)C(=O)N[C@@](C)(C(=O)N(C)[C@H](C)c1cccc2ccccc12)C1CCCC1
InChIInChI=1S/C39H52N4O5/c1-26(2)24-33(40-37(47)48-25-28-16-9-8-10-17-28)34(44)41-38(4,5)35(45)42-39(6,30-20-12-13-21-30)36(46)43(7)27(3)31-23-15-19-29-18-11-14-22-32(29)31/h8-11,14-19,22-23,26-27,30,33H,12-13,20-21,24-25H2,1-7H3,(H,40,47)(H,41,44)(H,42,45)/t27-,33+,39-/m1/s1
InChIKeyFZBNKKHCBKJGBE-BHGLPOINSA-N
XLogP6.66
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.87
LogP ≤ 56.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze benzyl N-[(2S)-1-[[1-[[(2R)-2-cyclopentyl-1-[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

benzyl N-[(2S)-4-methyl-1-[[2-methyl-1-oxo-1-[[(2S)-2,3,3-trimethyl-1-[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]-1-oxobutan-2-yl]amino]propan-2-yl]amino]-1-oxopentan-2-yl]carbamate
CID 15522192
methyl 2-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoate
CID 16723454
methyl 2-methyl-2-[[2-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[2-methyl-2-[[2-methyl-2-[[2-methyl-2-[[2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]pentanoyl]amino]propanoyl]amino]propanoate
CID 102079912
(2S)-2-cyclohexyl-2-[[(2S)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]amino]propanoic acid
CID 66973241
benzyl N-[(2S)-1-[(2S)-2-[2-[[(2R)-1-(tert-butylamino)-4-methyl-1-oxopentan-2-yl]amino]-2-oxoacetyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 10841176
benzyl N-[(2S)-4-methyl-1-[[(1S,3S)-3-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-oxocyclohexyl]amino]-1-oxopentan-2-yl]carbamate
CID 10627712
2-hydroxy-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-phenylbutanoic acid
CID 67735094
benzyl N-[(2S)-1-[[(1S,3S)-2-hydroxy-3-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]cyclopentyl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 10793827
benzyl N-[(2S)-4-methyl-1-oxo-1-[[(3S)-oxolan-3-yl]amino]pentan-2-yl]carbamate
CID 123959653
benzyl N-[(2S)-4-methyl-1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1-oxopentan-2-yl]carbamate
CID 162739094
benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)carbamate
CID 5147892
methyl (2S)-4-methyl-2-[[(2R)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoate
CID 7237625

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-[[1-[[(2R)-2-cyclopentyl-1-[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-[[1-[[(2R)-2-cyclopentyl-1-[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate (CID 15522191) is benzyl N-[(2S)-1-[[1-[[(2R)-2-cyclopentyl-1-[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-[[1-[[(2R)-2-cyclopentyl-1-[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-[[1-[[(2R)-2-cyclopentyl-1-[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate is CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(C)(C)C(=O)N[C@@](C)(C(=O)N(C)[C@H](C)c1cccc2ccccc12)C1CCCC1.
What is the InChIKey of benzyl N-[(2S)-1-[[1-[[(2R)-2-cyclopentyl-1-[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The InChIKey is FZBNKKHCBKJGBE-BHGLPOINSA-N. The full InChI is InChI=1S/C39H52N4O5/c1-26(2)24-33(40-37(47)48-25-28-16-9-8-10-17-28)34(44)41-38(4,5)35(45)42-39(6,30-20-12-13-21-30)36(46)43(7)27(3)31-23-15-19-29-18-11-14-22-32(29)31/h8-11,14-19,22-23,26-27,30,33H,12-13,20-21,24-25H2,1-7H3,(H,40,47)(H,41,44)(H,42,45)/t27-,33+,39-/m1/s1.
What are the key properties of benzyl N-[(2S)-1-[[1-[[(2R)-2-cyclopentyl-1-[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?
benzyl N-[(2S)-1-[[1-[[(2R)-2-cyclopentyl-1-[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 656.87 g/mol, XLogP of 6.66, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-[[1-[[(2R)-2-cyclopentyl-1-[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 15522191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).