chempirical

N-[2-[4-[[(Diphenylmethoxy)carbonyl]amino]-2-oxo-1(2H)-pyrimidinyl]acetyl]-N-[2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]ethyl]glycine

C39H35N5O8CAS 186046-81-1701.74 g/mol

Open in Covalent MOL file
OOHNNHOOONNHOONO
AmideCarboxylic acid

Properties

Molecular formula
C39H35N5O8
Molar mass
701.74 g/mol
Exact mass
701.2486 Da
logP
5.25Crippen estimate
Polar surface area
176.1 Ų
H-bond donors / acceptors
3 / 8
Rotatable bonds
13

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
186046-81-1
SMILES
O=C(O)CN(CCN=C(O)OCC1c2ccccc2-c2ccccc21)C(=O)Cn1ccc(N=C(O)OC(c2ccccc2)c2ccccc2)nc1=O
InChIKey
YPTOIRLDQISSCH-UHFFFAOYSA-N
InChI
InChI=1S/C39H35N5O8/c45-34(23-44-21-19-33(41-37(44)48)42-39(50)52-36(26-11-3-1-4-12-26)27-13-5-2-6-14-27)43(24-35(46)47)22-20-40-38(49)51-25-32-30-17-9-7-15-28(30)29-16-8-10-18-31(29)32/h1-19,21,32,36H,20,22-25H2,(H,40,49)(H,46,47)(H,41,42,48,50)

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Names and synonyms

4 names
  • Glycine, N-[2-[4-[[(diphenylmethoxy)carbonyl]amino]-2-oxo-1(2H)-pyrimidinyl]acetyl]-N-[2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]ethyl]-
  • Glycine, N-[[4-[[(diphenylmethoxy)carbonyl]amino]-2-oxo-1(2H)-pyrimidinyl]acetyl]-N-[2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]ethyl]-
  • 2-(N-(2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)ethyl)-2-(4-(((benzhydryloxy)carbonyl)amino)-2-oxopyrimidin-1(2H)-yl)acetamido)acetic acid
  • Fmoc-PNA-C(bhoc)-OH

Work with N-[2-[4-[[(Diphenylmethoxy)carbonyl]amino]-2-oxo-1(2H)-pyrimidinyl]acetyl]-N-[2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]ethyl]glycine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Fmoc-gly-OH29022-11-543 % similar Fmoc-PNA-T-OH169396-92-342 % similar 8-(9-Fluorenylmethoxycarbonylamino)-3,6-dioxaoctanoic acid166108-71-042 % similar 1-(9H-Fluoren-9-ylmethyl) 5,8,11,14,17,20,23,26-octaoxa-2-azanonacosanedioate756526-02-042 % similar 1-(9H-Fluoren-9-ylmethyl) 5,8,11,14,17,20-hexaoxa-2-azatricosanedioate882847-34-942 % similar (4-N-(Benzhydryloxycarbonyl)cytosine)-1-acetic acid186046-78-641 % similar (βR)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid209252-16-437 % similar (βS)-2-Chloro-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid270596-37-737 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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