chempirical

(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(((benzyloxy)carbonyl)amino)butanoic acid

C27H26N2O6CAS 387824-79-5474.51 g/mol

Open in Covalent MOL file
OONHOOHNHOO
CarbamateCarboxylic acid

Properties

Molecular formula
C27H26N2O6
Molar mass
474.51 g/mol
Exact mass
474.1791 Da
logP
4.29Crippen estimate
Polar surface area
114.0 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
9
Stereocentres
Rin SMILES atom order

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
387824-79-5
SMILES
C1=CC=C(C=C1)COC(=O)NCC[C@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChIKey
VHBSCTCUNZLWCT-XMMPIXPASA-N
InChI
InChI=1S/C27H26N2O6/c30-25(31)24(14-15-28-26(32)34-16-18-8-2-1-3-9-18)29-27(33)35-17-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,23-24H,14-17H2,(H,28,32)(H,29,33)(H,30,31)/t24-/m1/s1

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Names and synonyms

1 names
  • Fmoc-D-dab(Z)-oh

Work with (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(((benzyloxy)carbonyl)amino)butanoic acid

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-[[(phenylmethoxy)carbonyl]amino]butanoic acid252049-08-4Enantiomer

Similar compounds

Fmoc-orn(Z)-oh138775-07-289 % similar Fmoc-D-lys(Z)-oh110990-07-387 % similar Fmoc-L-homophenylalanine132684-59-475 % similar Fmoc-D-homophenylalanine135944-09-175 % similar Fmoc-D-homophenylalanine135994-09-175 % similar Fmoc-lys(fmoc)-oh78081-87-575 % similar Fmoc-O-benzyl-L-serine83792-48-773 % similar Boc-L-2,4-diaminobutyric acid(fmoc)117106-21-572 % similar

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

Elsewhere

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