Boc-phe-gly-oh

C16H22N2O5CAS 25616-33-5322.36 g/mol

Open in Covalent MOL file
OONHONHOHO
AmideCarbamateCarboxylic acid

Properties

Molecular formula
C16H22N2O5
Molar mass
322.36 g/mol
Exact mass
322.1529 Da
logP
1.32Crippen estimate
Polar surface area
104.7 Ų
H-bond donors / acceptors
3 / 4
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.

Search the SDS library

Identifiers

CAS number
25616-33-5
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)O
InChIKey
MJRWXIQFTMLYFG-LBPRGKRZSA-N
InChI
InChI=1S/C16H22N2O5/c1-16(2,3)23-15(22)18-12(14(21)17-10-13(19)20)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,18,22)(H,19,20)/t12-/m0/s1

Weigh it out

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

Work with Boc-phe-gly-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

Similar compounds

Boc-dl-phe-oh4530-18-167 % similar (S)-3-(Boc-amino)-4-phenylbutyric acid51871-62-665 % similar (S)-2-(2-((tert-Butoxycarbonyl)amino)-4-methylpentanamido)acetic acid32991-17-664 % similar Boc-phe-ome51987-73-659 % similar Boc-D-4,4'-biphenylalanine128779-47-559 % similar Boc-L-4,4'-biphenylalanine147923-08-859 % similar N-Alpha-t-Butyloxycarbonyl-D-glutamic acid benzyl ester34404-30-357 % similar Boc-D-tyr(bzl)-oh63769-58-457 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Diethyl N-(4-aminobenzoyl)-L-glutamate13726-52-8 Serotonin adipate16031-83-7 N-[3-[Bis[2-(acetyloxy)ethyl]amino]phenyl]acetamide27059-08-1 N-[3-(Acetylamino)phenyl]-N-(3-methoxy-3-oxopropyl)-β-alanine methyl ester61038-96-8 EHIDA63245-28-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook