chempirical

Fmoc-arg(boc)2-oh

C31H40N4O8CAS 143824-77-5596.68 g/mol

Open in Covalent MOL file
OOHNNOOHNHOOHNOO
CarbamateCarboxylic acidGuanidine

Properties

Molecular formula
C31H40N4O8
Molar mass
596.68 g/mol
Exact mass
596.2846 Da
logP
5.16Crippen estimate
Polar surface area
164.6 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
8
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
143824-77-5
SMILES
CC(C)(C)OC(=O)NC(=NCCC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)NC(=O)OC(C)(C)C
InChIKey
WPAALELGEWGQEG-DEOSSOPVSA-N
InChI
InChI=1S/C31H40N4O8/c1-30(2,3)42-28(39)34-26(35-29(40)43-31(4,5)6)32-17-11-16-24(25(36)37)33-27(38)41-18-23-21-14-9-7-12-19(21)20-13-8-10-15-22(20)23/h7-10,12-15,23-24H,11,16-18H2,1-6H3,(H,33,38)(H,36,37)(H2,32,34,35,39,40)/t24-/m0/s1

Weigh it out

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

Work with Fmoc-arg(boc)2-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

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

Elsewhere

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