chempirical

Fmoc-L-trp(boc)-oh

C31H30N2O6CAS 143824-78-6526.59 g/mol

Open in Covalent MOL file
OONNHOOOOH
Carboxylic acid

Properties

Molecular formula
C31H30N2O6
Molar mass
526.59 g/mol
Exact mass
526.2104 Da
logP
6.16Crippen estimate
Polar surface area
110.3 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
143824-78-6
SMILES
CC(C)(C)OC(=O)n1cc(C[C@H](N=C(O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c2ccccc21
InChIKey
ADOHASQZJSJZBT-SANMLTNESA-N
InChI
InChI=1S/C31H30N2O6/c1-31(2,3)39-30(37)33-17-19(20-10-8-9-15-27(20)33)16-26(28(34)35)32-29(36)38-18-25-23-13-6-4-11-21(23)22-12-5-7-14-24(22)25/h4-15,17,25-26H,16,18H2,1-3H3,(H,32,36)(H,34,35)/t26-/m0/s1

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Names and synonyms

4 names
  • L-Tryptophan, 1-[(1,1-dimethylethoxy)carbonyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
  • 1-[(1,1-Dimethylethoxy)carbonyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-tryptophan
  • 3-[(2S)-2-Carboxy-2-[[[(9H-fluoren-9-yl)methoxy]carbonyl]amino]ethyl]indole-1-carboxylic acid tert-butyl ester
  • (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid

Work with Fmoc-L-trp(boc)-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-L-asp(otbu)-oh71989-14-561 % similar (αR)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-1-naphthalenepropanoic acid138774-93-361 % similar (αS)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-1-naphthalenepropanoic acid96402-49-261 % similar N-(9-Fluorenylmethoxycarbonyl)-L-glutamic acid γ-tert-butyl ester71989-18-961 % similar N-(9-Fluorenylmethoxycarbonyl)-O-tert-butylserine71989-33-860 % similar N-[(1,1-Dimethylethoxy)carbonyl]-3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-D-alanine131570-56-459 % similar Fmoc-L-tyr(tbu)-oh71989-38-359 % similar 1-[(1,1-Dimethylethoxy)carbonyl]-L-tryptophan146645-63-859 % similar

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

Same formula

1-(tert-Butoxycarbonyl)-N-(((9H-fluoren-9-yl)methoxy)carbonyl)-D-tryptophan163619-04-3

Elsewhere

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