N-[(1,1-Dimethylethoxy)carbonyl]-3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-D-alanine

C23H26N2O6CAS 131570-56-4426.47 g/mol

Open in Covalent MOL file
OONHNHOOOHO
Carboxylic acid

Properties

Molecular formula
C23H26N2O6
Molar mass
426.47 g/mol
Exact mass
426.1791 Da
logP
3.91Crippen estimate
Polar surface area
120.9 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
6
Stereocentres
Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
131570-56-4
SMILES
CC(C)(C)OC(O)=N[C@H](CN=C(O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIKey
MVWPBNQGEGBGRF-LJQANCHMSA-N
InChI
InChI=1S/C23H26N2O6/c1-23(2,3)31-22(29)25-19(20(26)27)12-24-21(28)30-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,24,28)(H,25,29)(H,26,27)/t19-/m1/s1

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Names and synonyms

2 names
  • D-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-
  • (R)-2-[(tert-Butoxycarbonyl)amino]-3-[[[(9H-fluoren-9-yl)methoxy]carbonyl]amino]propionic acid

Work with N-[(1,1-Dimethylethoxy)carbonyl]-3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-D-alanine

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.

Boc-dap(fmoc)-oh122235-70-5Enantiomer

Similar compounds

Fmoc-L-glutamic acid 5-tert-butyl ester71989-18-974 % similar (2S)-5-(((tert-Butoxy)carbonyl)amino)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)pentanoic acid109425-55-073 % similar Fmoc-L-asp(OtBu)-OH71989-14-572 % similar Fmoc-lys(boc)-OH71989-26-972 % similar N-(9-Fluorenylmethoxycarbonyl)-O-tert-butylserine71989-33-871 % similar 3-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-N-[(phenylmethoxy)carbonyl]-L-alanine142855-80-971 % similar N-[(1,1-Dimethylethoxy)carbonyl]-S-(9H-fluoren-9-ylmethyl)-L-cysteine84888-35-767 % similar Fmoc-L-tyr(tBu)-OH71989-38-363 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Fmoc-N'-boc-L-2,3-diaminopropionic acid162558-25-0 Fmoc-D-dap(boc)-oh198544-42-2 N2-[(1,1-Dimethylethoxy)carbonyl]-N-9H-xanthen-9-yl-L-glutamine55260-24-7

Elsewhere

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