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.

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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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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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