chempirical

Fmoc-D-lys(ivdde)-oh

C34H42N2O6CAS 1272755-33-5574.72 g/mol

Open in Covalent MOL file
NOOHNHOOOHO
AlkeneCarbamateCarboxylic acidImineKetone

Properties

Molecular formula
C34H42N2O6
Molar mass
574.72 g/mol
Exact mass
574.3043 Da
logP
6.84Crippen estimate
Polar surface area
125.3 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
12
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
1272755-33-5
SMILES
CC(C)CC(=NCCCC[C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C4=C(CC(CC4=O)(C)C)O
InChIKey
LHJJUCZESVFWSO-HHHXNRCGSA-N
InChI
InChI=1S/C34H42N2O6/c1-21(2)17-28(31-29(37)18-34(3,4)19-30(31)38)35-16-10-9-15-27(32(39)40)36-33(41)42-20-26-24-13-7-5-11-22(24)23-12-6-8-14-25(23)26/h5-8,11-14,21,26-27,37H,9-10,15-20H2,1-4H3,(H,36,41)(H,39,40)/t27-/m1/s1

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Work with Fmoc-D-lys(ivdde)-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

Fmoc-orn(ivdde)-oh1198321-33-396 % similar Fmoc-D-nle-oh112883-41-759 % similar Fmoc-D-arg-oh130752-32-857 % similar Fmoc-lys-oh105047-45-855 % similar (2R)-2-(((9H-Fluoren-9-ylmethoxy)carbonyl)amino)-4-methylpentanoic acid114360-54-253 % similar Fmoc-asp(ochex)-oh130304-80-253 % similar Fmoc-D-orn(boc)-oh118476-89-453 % similar Fmoc-D-aspartic acid beta-tert-butyl ester112883-39-352 % similar

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

Elsewhere

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