(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.

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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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