Boc-orn(fmoc)-oh

C25H30N2O6CAS 150828-96-9454.52 g/mol

OONHNHOOOHO
CarbamateCarboxylic acid

Properties

Molecular formula
C25H30N2O6
Molar mass
454.52 g/mol
Exact mass
454.2104 Da
logP
4.28Crippen estimate
Polar surface area
114.0 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
8
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
150828-96-9
SMILES
CC(C)(C)OC(=O)N[C@@H](CCCNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O
InChIKey
YEBWACZYMHWWEK-NRFANRHFSA-N
InChI
InChI=1S/C25H30N2O6/c1-25(2,3)33-24(31)27-21(22(28)29)13-8-14-26-23(30)32-15-20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20/h4-7,9-12,20-21H,8,13-15H2,1-3H3,(H,26,30)(H,27,31)(H,28,29)/t21-/m0/s1

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Names and synonyms

1 names
  • (2S)-2-(((tert-Butoxy)carbonyl)amino)-5-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)pentanoic acid

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Similar compounds

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

Same formula

Elsewhere