chempirical

L-Tryptophan, N-((1,1-dimethylethoxy)carbonyl)-1-formyl-

C17H20N2O5CAS 47355-10-2332.36 g/mol

Open in Covalent MOL file
OONHNOOOH
CarbamateCarboxylic acid

Properties

Molecular formula
C17H20N2O5
Molar mass
332.36 g/mol
Exact mass
332.1372 Da
logP
2.20Crippen estimate
Polar surface area
97.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Hazards

Not classified as hazardous under GHS by 2 ECHA notifiers. Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
47355-10-2
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CN(C2=CC=CC=C21)C=O)C(=O)O
InChIKey
IHXHBYFWSOYYTR-ZDUSSCGKSA-N
InChI
InChI=1S/C17H20N2O5/c1-17(2,3)24-16(23)18-13(15(21)22)8-11-9-19(10-20)14-7-5-4-6-12(11)14/h4-7,9-10,13H,8H2,1-3H3,(H,18,23)(H,21,22)/t13-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • Boc-trp(for)-oh

Work with L-Tryptophan, N-((1,1-dimethylethoxy)carbonyl)-1-formyl-

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

Similar compounds

Boc-trp(boc)-oh144599-95-172 % similar Boc-D-3-benzothienylalanine111082-76-960 % similar (S)-3-(Benzo[b]thiophen-3-yl)-2-((tert-butoxycarbonyl)amino)propanoic acid154902-51-960 % similar (2S)-3-(2-Bromophenyl)-2-(((tert-butoxy)carbonyl)amino)propanoic acid261165-02-060 % similar Boc-2-methyl-D-phenylalanine80102-29-060 % similar 1-(tert-Butoxycarbonyl)-N-(((9H-fluoren-9-yl)methoxy)carbonyl)-D-tryptophan163619-04-360 % similar Boc-2-chloro-L-phenylalanine114873-02-859 % similar (R)-2-((tert-Butoxycarbonyl)amino)-3-(2-chlorophenyl)propanoic acid80102-23-459 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook