Fmoc-lys(dnp)-oh

C27H26N4O8CAS 148083-64-1534.53 g/mol

Open in Covalent MOL file
OONHNHN+OO−N+OO−OHO
CarbamateCarboxylic acidNitroSecondary amine

Properties

Molecular formula
C27H26N4O8
Molar mass
534.53 g/mol
Exact mass
534.1751 Da
logP
5.08Crippen estimate
Polar surface area
173.9 Ų
H-bond donors / acceptors
3 / 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.

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Identifiers

CAS number
148083-64-1
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CCCCNC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C(=O)O
InChIKey
OENCMORJQAUAAJ-DEOSSOPVSA-N
InChI
InChI=1S/C27H26N4O8/c32-26(33)24(11-5-6-14-28-23-13-12-17(30(35)36)15-25(23)31(37)38)29-27(34)39-16-22-20-9-3-1-7-18(20)19-8-2-4-10-21(19)22/h1-4,7-10,12-13,15,22,24,28H,5-6,11,14,16H2,(H,29,34)(H,32,33)/t24-/m0/s1

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Work with Fmoc-lys(dnp)-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.

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Elsewhere

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