Fmoc-D-cit-oh

C₂₁H₂₃N₃O₅CAS 200344-33-8397.43 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Urea

Properties

Molecular formula: C₂₁H₂₃N₃O₅
Molar mass: 397.43 g/mol
Exact mass: 397.1638 Da
logP: 2.43Crippen estimate
Polar surface area: 130.8 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 8
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

200344-33-8

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CCCNC(=O)N)C(=O)O

InChIKey

NBMSMZSRTIOFOK-GOSISDBHSA-N

InChI

InChI=1S/C21H23N3O5/c22-20(27)23-11-5-10-18(19(25)26)24-21(28)29-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12H2,(H,24,28)(H,25,26)(H3,22,23,27)/t18-/m1/s1

Weigh it out

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

Work with Fmoc-D-cit-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-lys(ac)-OH159766-56-074 % similar Fmoc-orn(Z)-oh138775-07-273 % similar Fmoc-D-arg-oh130752-32-872 % similar Fmoc-lys-oh105047-45-871 % similar Fmoc-D-nle-oh112883-41-771 % similar Fmoc-orn(aloc)-oh147290-11-770 % similar Boc-orn(fmoc)-oh150828-96-970 % similar Fmoc-D-lys(Z)-oh110990-07-369 % similar

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

Same formula

Fmoc-L-citrulline133174-15-9 Strychnine nitrate66-32-0 Abexinostat783355-60-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook