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.

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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

(3S)-4-(Benzyloxy)-3-(((tert-butoxy)carbonyl)amino)-4-oxobutanoic acid30925-18-9 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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