Fmoc-S-trityl-L-penicillamine

C₃₉H₃₅NO₄SCAS 201531-88-6613.77 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Sulfide

Properties

Molecular formula: C₃₉H₃₅NO₄S
Molar mass: 613.77 g/mol
Exact mass: 613.2287 Da
logP: 8.48Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 10
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

201531-88-6

SMILES

CC(C)([C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChIKey

XSGMGAINOILNJR-PGUFJCEWSA-N

InChI

InChI=1S/C39H35NO4S/c1-38(2,45-39(27-16-6-3-7-17-27,28-18-8-4-9-19-28)29-20-10-5-11-21-29)35(36(41)42)40-37(43)44-26-34-32-24-14-12-22-30(32)31-23-13-15-25-33(31)34/h3-25,34-35H,26H2,1-2H3,(H,40,43)(H,41,42)/t35-/m1/s1

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

Names and synonyms

1 names

Fmoc-pen(trt)-OH

Work with Fmoc-S-trityl-L-penicillamine

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

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

Elsewhere

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