Fmoc-asp(otbu)-(dmb)gly-oh

C₃₄H₃₈N₂O₉CAS 900152-72-9618.68 g/mol

Open in Covalent MOL file

Amide Carbamate Carboxylic acid Ester Ether

Properties

Molecular formula: C₃₄H₃₈N₂O₉
Molar mass: 618.68 g/mol
Exact mass: 618.2577 Da
logP: 4.76Crippen estimate
Polar surface area: 140.7 Å²
H-bond donors / acceptors: 2 / 8
Rotatable bonds: 12
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

900152-72-9

SMILES

CC(C)(C)OC(=O)C[C@@H](C(=O)N(CC1=C(C=C(C=C1)OC)OC)CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChIKey

SGFXBTBQHJNOAB-NDEPHWFRSA-N

InChI

InChI=1S/C34H38N2O9/c1-34(2,3)45-31(39)17-28(32(40)36(19-30(37)38)18-21-14-15-22(42-4)16-29(21)43-5)35-33(41)44-20-27-25-12-8-6-10-23(25)24-11-7-9-13-26(24)27/h6-16,27-28H,17-20H2,1-5H3,(H,35,41)(H,37,38)/t28-/m0/s1

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Names and synonyms

1 names

Ref dupl: fmoc-asp(otbu)-(dmb)gly-oh

Work with Fmoc-asp(otbu)-(dmb)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

Fmoc-(dmb)gly-oh166881-42-163 % similar Fmoc-D-aspartic acid beta-tert-butyl ester112883-39-356 % similar Fmoc-beta-Glu(OtBu)-OH209252-17-555 % similar Fmoc-N(hmb)-gly-oh148515-78-054 % similar (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid129460-09-952 % similar Fmoc-D-asp-otbu134098-70-752 % similar Fmoc-N-(2,4,6-trimethoxybenzyl)-glycine166881-43-251 % similar Fmoc-beta-Hoglu(Otbu)-OH203854-49-351 % similar

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

Elsewhere

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