Fmoc-asn(ac3acnh-beta-glc)-oh

C₃₃H₃₇N₃O₁₃CAS 131287-39-3683.67 g/mol

Open in Covalent MOL file

Amide Carbamate Carboxylic acid Ester Ether

Properties

Molecular formula: C₃₃H₃₇N₃O₁₃
Molar mass: 683.67 g/mol
Exact mass: 683.2326 Da
logP: 1.14Crippen estimate
Polar surface area: 222.0 Å²
H-bond donors / acceptors: 4 / 12
Rotatable bonds: 12
Stereocentres: R, R, S, R, R, Sin SMILES atom order

Identifiers

CAS number

131287-39-3

SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1NC(=O)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)COC(=O)C)OC(=O)C)OC(=O)C

InChIKey

QOACISSHGAAMLK-MJCYOTSPSA-N

InChI

InChI=1S/C33H37N3O13/c1-16(37)34-28-30(48-19(4)40)29(47-18(3)39)26(15-45-17(2)38)49-31(28)36-27(41)13-25(32(42)43)35-33(44)46-14-24-22-11-7-5-9-20(22)21-10-6-8-12-23(21)24/h5-12,24-26,28-31H,13-15H2,1-4H3,(H,34,37)(H,35,44)(H,36,41)(H,42,43)/t25-,26+,28+,29+,30+,31+/m0/s1

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Names and synonyms

1 names

Fmoc-L-Asn(GlcNAc(Ac)3-beta)-OH

Work with Fmoc-asn(ac3acnh-beta-glc)-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

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

Elsewhere

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