Boc-phe-gly-oh

C₁₆H₂₂N₂O₅CAS 25616-33-5322.36 g/mol

Open in Covalent MOL file

Amide Carbamate Carboxylic 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 Å²
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

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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

1,5-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

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