chempirical

Boc-D-dab(Z)-oh dcha

C29H47N3O6CAS 101854-42-6533.71 g/mol

Open in Covalent MOL file
OONHNHOOOOHNH
CarbamateCarboxylic acidSecondary amine

Properties

Molecular formula
C29H47N3O6
Molar mass
533.71 g/mol
Exact mass
533.3465 Da
logP
5.52Crippen estimate
Polar surface area
126.0 Ų
H-bond donors / acceptors
4 / 6
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
101854-42-6
SMILES
CC(C)(C)OC(=O)N[C@H](CCNC(=O)OCC1=CC=CC=C1)C(=O)O.C1CCC(CC1)NC2CCCCC2
InChIKey
CBSVEVKFQHTZSP-BTQNPOSSSA-N
InChI
InChI=1S/C17H24N2O6.C12H23N/c1-17(2,3)25-16(23)19-13(14(20)21)9-10-18-15(22)24-11-12-7-5-4-6-8-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,19,23)(H,20,21);11-13H,1-10H2/t13-;/m1./s1

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Names and synonyms

1 names
  • Boc-D-dab(Z)-OH.DCHA

Work with Boc-D-dab(Z)-oh dcha

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.

Dicyclohexylamine101-83-7Free base Dicyclohexylammonium nitrite3129-91-7Salt N-Benzyloxycarbonyl-L-isoleucine dicyclohexylamine salt26699-00-3Salt N-Benzyloxycarbonyl-L-leucine dicyclohexylamine salt53363-87-4Salt N-Carbobenzoxy-L-aspartic acid β-tert-butyl ester dicyclohexylamine salt (1:1)23632-70-4Salt Boc-His(Boc)-OH dicyclohexylamine (1:1)31687-58-8Salt Nα-tert-Butoxycarbonyl-Nε-benzyloxycarbonyl-L-lysine compound with dicyclohexylamine (1:1)16948-04-2Salt Z-D-Leu-OH.DCHA7662-58-0Salt L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(1,1-dimethylethyl) ester, compd. with N-cyclohexylcyclohexanamine (1:1)1913-12-8Salt L-Lysine, N6-[(1,1-dimethylethoxy)carbonyl]-N2-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)2212-76-2Salt L-Threonine, O-(1,1-dimethylethyl)-N-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)16966-07-7Salt L-Tyrosine, O-(1,1-dimethylethyl)-N-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)16879-90-6Salt

Similar compounds

Z-Ndelta-Boc-L-ornithine7733-29-176 % similar Boc-dap(Z)-oh65710-57-872 % similar Boc-D-glutamic acid 5-benzyl ester35793-73-867 % similar L-N-Cbz-3-N-boc-amino-alanine16947-84-567 % similar Boc-L-2,4-diaminobutyric acid(fmoc)117106-21-565 % similar Boc-D-aspartic acid 4-benzyl ester51186-58-465 % similar Boc-L-homophenylalanine100564-78-165 % similar Boc-D-homophenylalanine82732-07-865 % similar

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

Elsewhere

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