Fmoc-val-ser(psime,mepro)-oh

C₂₆H₃₀N₂O₆CAS 186023-49-4466.53 g/mol

Open in Covalent MOL file

Amide Carbamate Carboxylic acid Ether

Properties

Molecular formula: C₂₆H₃₀N₂O₆
Molar mass: 466.53 g/mol
Exact mass: 466.2104 Da
logP: 3.60Crippen estimate
Polar surface area: 105.2 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 6
Stereocentres: S, Sin SMILES atom order

Identifiers

CAS number

186023-49-4

SMILES

CC(C)[C@@H](C(=O)N1[C@@H](COC1(C)C)C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChIKey

KLYUTTJBDDHKOC-VXKWHMMOSA-N

InChI

InChI=1S/C26H30N2O6/c1-15(2)22(23(29)28-21(24(30)31)14-34-26(28,3)4)27-25(32)33-13-20-18-11-7-5-9-16(18)17-10-6-8-12-19(17)20/h5-12,15,20-22H,13-14H2,1-4H3,(H,27,32)(H,30,31)/t21-,22-/m0/s1

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

Work with Fmoc-val-ser(psime,mepro)-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-ala-ser(yme,mepro)-oh252554-78-281 % similar Fmoc-ser(tbu)-ser(psime,mepro)-oh1000164-43-174 % similar Fmoc-Gln(Trt)-Ser(Psi(Me,Me)pro)-OH1821378-64-665 % similar (4S,5R)-3-(Fmoc-ala)-2,2,5-trimethyl-oxazolidine-4-carboxylic acid252554-79-358 % similar Fmoc-O-tert-butyl-D-threonine138797-71-457 % similar Fmoc-D-allo-thr(tbu)-oh170643-02-457 % similar Fmoc-allo-thr(tbu)-oh201481-37-057 % similar Fmoc-ser(tbu)-thr(psime,mepro)-oh1266350-99-557 % similar

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

Same formula

4-(9H-Fluoren-9-ylmethoxycarbonylamino)-piperidine-1,4-dicarboxylic acid mono-tert-butyl ester183673-66-7 4-(1,1-Dimethylethyl) 1-(9H-fluoren-9-ylmethyl) 2-(carboxymethyl)-1,4-piperazinedicarboxylate183742-34-9 1-(9H-Fluoren-9-ylmethyl) 4-[[(1,1-dimethylethoxy)carbonyl]amino]-1,4-piperidinedicarboxylate368866-07-3

Elsewhere

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