(S)-2-(2-((tert-Butoxycarbonyl)amino)-4-methylpentanamido)acetic acid

C₁₃H₂₄N₂O₅CAS 32991-17-6288.34 g/mol

Open in Covalent MOL file

Amide Carbamate Carboxylic acid

Properties

Molecular formula: C₁₃H₂₄N₂O₅
Molar mass: 288.34 g/mol
Exact mass: 288.1685 Da
logP: 1.13Crippen estimate
Polar surface area: 104.7 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

32991-17-6

SMILES

CC(C)C[C@@H](C(=O)NCC(=O)O)NC(=O)OC(C)(C)C

InChIKey

NRXDUMDULDHIEA-VIFPVBQESA-N

InChI

InChI=1S/C13H24N2O5/c1-8(2)6-9(11(18)14-7-10(16)17)15-12(19)20-13(3,4)5/h8-9H,6-7H2,1-5H3,(H,14,18)(H,15,19)(H,16,17)/t9-/m0/s1

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Names and synonyms

1 names

Boc-leu-gly-oh

Work with (S)-2-(2-((tert-Butoxycarbonyl)amino)-4-methylpentanamido)acetic acid

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-phe-gly-oh25616-33-564 % similar Boc-L-beta-homoleucine132549-43-060 % similar Boc-D-leu-oh H2O200937-17-359 % similar Boc-asp-otbu34582-32-653 % similar (3S)-3-(((tert-Butoxy)carbonyl)amino)butanoic acid158851-30-052 % similar N-(tert-Butoxycarbonyl)glycylglycine31972-52-852 % similar Boc-D-leucinol106930-51-251 % similar Boc-L-glutamic acid2419-94-551 % similar

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

Same formula

N2-Acetyl-N6-[(1,1-dimethylethoxy)carbonyl]-L-lysine23500-04-1

Elsewhere

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