trityl (2S)-3-methyl-2-[methyl-[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]butanoate

C32H40N2O3 — CID 175928138

IUPACtrityl (2S)-3-methyl-2-[methyl-[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]butanoate
SMILESCN[C@@H](CC(C)C)C(=O)N(C)[C@H](C(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C32H40N2O3/c1-23(2)22-28(33-5)30(35)34(6)29(24(3)4)31(36)37-32(25-16-10-7-11-17-25,26-18-12-8-13-19-26)27-20-14-9-15-21-27/h7-21,23-24,28-29,33H,22H2,1-6H3/t28-,29-/m0/s1
InChIKeyWPZUXSNEQHNZFC-VMPREFPWSA-N
MW500.68 g/mol
LogP5.64
Rot. Bonds11

About trityl (2S)-3-methyl-2-[methyl-[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]butanoate

trityl (2S)-3-methyl-2-[methyl-[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]butanoate (PubChem CID 175928138) has the molecular formula C32H40N2O3 and a molecular weight of 500.68 g/mol. Its IUPAC name is trityl (2S)-3-methyl-2-[methyl-[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]butanoate.

Molecular Properties

Compound Nametrityl (2S)-3-methyl-2-[methyl-[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]butanoate
PubChem CID175928138
Molecular FormulaC32H40N2O3
Molecular Weight500.68 g/mol
Exact Mass500.30
IUPAC Nametrityl (2S)-3-methyl-2-[methyl-[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]butanoate
SMILESCN[C@@H](CC(C)C)C(=O)N(C)[C@H](C(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C32H40N2O3/c1-23(2)22-28(33-5)30(35)34(6)29(24(3)4)31(36)37-32(25-16-10-7-11-17-25,26-18-12-8-13-19-26)27-20-14-9-15-21-27/h7-21,23-24,28-29,33H,22H2,1-6H3/t28-,29-/m0/s1
InChIKeyWPZUXSNEQHNZFC-VMPREFPWSA-N
XLogP5.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.68
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

benzyl (2S)-3-methyl-2-[methyl-[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]butanoate
CID 46193688
tert-butyl (2R)-3-methyl-2-[methyl-[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]butanoate
CID 10805237
(2S)-N,N',4-trimethyl-2-(methylamino)pentanehydrazide
CID 50994387
trityl 2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]-methylamino]-4-methylpentanoyl]amino]-2-methylpropanoate
CID 175928171
methyl 2-[[3,3-dimethyl-2-[[3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylbutanoyl]amino]butanoyl]-methylamino]-3-methylbutanoate
CID 21032156
[[4-(methylcarbamoyl)phenyl]-diphenylmethyl] (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoate
CID 51341573
(2S)-N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-methylamino]-4-methyl-1-oxopentan-2-yl]-N,4-dimethyl-2-(methylamino)pentanamide
CID 122467702
benzyl (2S)-3-methyl-2-[methyl-[(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]butanoate;methanol;(2S)-3-methyl-2-[methyl-[(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]butanoic acid
CID 159301489
methyl (2S)-4-methyl-2-(2-tritylhydrazinyl)pentanoate
CID 142662042
tert-butyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylamino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 127261982
benzyl (2R)-4-methyl-2-[methyl-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoate
CID 46176401
(2S)-N,4-dimethyl-2-(methylamino)-N-[(2S)-4-methyl-1-[[(2S)-3-methyl-1-[methyl-[(2S)-4-methyl-1-[methyl-[(2S)-4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]pentanamide
CID 122201562

Frequently Asked Questions

What is the IUPAC name of trityl (2S)-3-methyl-2-[methyl-[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]butanoate?
The IUPAC name of trityl (2S)-3-methyl-2-[methyl-[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]butanoate (CID 175928138) is trityl (2S)-3-methyl-2-[methyl-[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]butanoate.
What is the SMILES notation for trityl (2S)-3-methyl-2-[methyl-[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]butanoate?
The canonical SMILES for trityl (2S)-3-methyl-2-[methyl-[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]butanoate is CN[C@@H](CC(C)C)C(=O)N(C)[C@H](C(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C.
What is the InChIKey of trityl (2S)-3-methyl-2-[methyl-[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]butanoate?
The InChIKey is WPZUXSNEQHNZFC-VMPREFPWSA-N. The full InChI is InChI=1S/C32H40N2O3/c1-23(2)22-28(33-5)30(35)34(6)29(24(3)4)31(36)37-32(25-16-10-7-11-17-25,26-18-12-8-13-19-26)27-20-14-9-15-21-27/h7-21,23-24,28-29,33H,22H2,1-6H3/t28-,29-/m0/s1.
What are the key properties of trityl (2S)-3-methyl-2-[methyl-[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]butanoate?
trityl (2S)-3-methyl-2-[methyl-[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]butanoate has a molecular weight of 500.68 g/mol, XLogP of 5.64, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trityl (2S)-3-methyl-2-[methyl-[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]butanoate is sourced from PubChem (CID 175928138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).