chempirical

Boc-dap(Z)-oh

C16H22N2O6CAS 65710-57-8338.36 g/mol

Open in Covalent MOL file
OONHNHOOOHO
CarbamateCarboxylic acid

Properties

Molecular formula
C16H22N2O6
Molar mass
338.36 g/mol
Exact mass
338.1478 Da
logP
1.89Crippen estimate
Polar surface area
114.0 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
6
Stereocentres
Sin 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
65710-57-8
SMILES
CC(C)(C)OC(=O)N[C@@H](CNC(=O)OCC1=CC=CC=C1)C(=O)O
InChIKey
QKMSMVGTLTVHLK-LBPRGKRZSA-N
InChI
InChI=1S/C16H22N2O6/c1-16(2,3)24-15(22)18-12(13(19)20)9-17-14(21)23-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,18,22)(H,19,20)/t12-/m0/s1

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Work with Boc-dap(Z)-oh

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.

L-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-3-[[(phenylmethoxy)carbonyl]amino]-, compd. with N-cyclohexylcyclohexanamine (1:1)65710-58-9Salt

Similar compounds

Boc-D-aspartic acid 4-benzyl ester51186-58-475 % similar (R)-3-(Benzyloxy)-2-((tert-butoxycarbonyl)amino)propanoic acid47173-80-873 % similar Boc-D-dab(Z)-oh dcha101854-42-672 % similar Z-D-Asp(OtBu)-OH71449-08-672 % similar Z-Ndelta-Boc-L-ornithine7733-29-171 % similar N-Alfa-Cbz-O-t-butyl-D-serine65806-90-871 % similar Boc-dap(fmoc)-oh122235-70-571 % similar Boc-D-glutamic acid 5-benzyl ester35793-73-871 % similar

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

Same formula

L-N-Cbz-3-N-boc-amino-alanine16947-84-5 N-[(1,1-Dimethylethoxy)carbonyl]-4-nitro-L-phenylalanine ethyl ester67630-00-6

Elsewhere

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