chempirical

Z-D-Asp(OtBu)-OH

C16H21NO6CAS 71449-08-6323.35 g/mol

Open in Covalent MOL file
OOOOHNHOO
CarbamateCarboxylic acidEster

Properties

Molecular formula
C16H21NO6
Molar mass
323.35 g/mol
Exact mass
323.1369 Da
logP
2.10Crippen estimate
Polar surface area
101.9 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
6
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
71449-08-6
SMILES
CC(C)(C)OC(=O)C[C@H](C(=O)O)NC(=O)OCC1=CC=CC=C1
InChIKey
HLSLRFBLVZUVIE-GFCCVEGCSA-N
InChI
InChI=1S/C16H21NO6/c1-16(2,3)23-13(18)9-12(14(19)20)17-15(21)22-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,19,20)/t12-/m1/s1

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Names and synonyms

1 names
  • Z-D-Asp(otbu)-oh H2O

Work with Z-D-Asp(OtBu)-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.

4-(1,1-Dimethylethyl) hydrogen N-[(phenylmethoxy)carbonyl]-L-aspartate5545-52-8Enantiomer N-Carbobenzoxy-L-aspartic acid β-tert-butyl ester dicyclohexylamine salt (1:1)23632-70-4Salt, enantiomer

Similar compounds

Z-D-Glu(otbu)-oh51644-83-882 % similar (2S)-2-(((Benzyloxy)carbonyl)amino)-4-methoxy-4-oxobutanoic acid3160-47-276 % similar L-N-Cbz-3-N-boc-amino-alanine16947-84-575 % similar Z-Ndelta-Boc-L-ornithine7733-29-173 % similar N-Alfa-Cbz-O-t-butyl-D-serine65806-90-873 % similar Boc-D-glutamic acid 5-benzyl ester35793-73-872 % similar Boc-dap(Z)-oh65710-57-872 % similar Fmoc-D-aspartic acid beta-tert-butyl ester112883-39-369 % similar

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

Same formula

N-(tert-Butoxycarbonyl)aspartic acid benzyl ester30925-18-9 Boc-D-aspartic acid 4-benzyl ester51186-58-4 N-tert-Butoxycarbonyl-L-aspartic acid β-benzyl ester7536-58-5

Elsewhere

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