N-[(Phenylmethoxy)carbonyl]-L-tryptophan phenylmethyl ester

C26H24N2O4CAS 69876-37-5428.49 g/mol

Open in Covalent MOL file
OONHNHOO
Ester

Properties

Molecular formula
C26H24N2O4
Molar mass
428.49 g/mol
Exact mass
428.1736 Da
Melting point
105–108 °C
logP
4.95Crippen estimate
Polar surface area
83.9 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
8
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
69876-37-5
SMILES
O=C(OCc1ccccc1)[C@H](Cc1c[nH]c2ccccc12)N=C(O)OCc1ccccc1
InChIKey
UHYCVEDLXBEKPC-DEOSSOPVSA-N
InChI
InChI=1S/C26H24N2O4/c29-25(31-17-19-9-3-1-4-10-19)24(15-21-16-27-23-14-8-7-13-22(21)23)28-26(30)32-18-20-11-5-2-6-12-20/h1-14,16,24,27H,15,17-18H2,(H,28,30)/t24-/m0/s1

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Names and synonyms

3 names
  • L-Tryptophan, N-[(phenylmethoxy)carbonyl]-, phenylmethyl ester
  • Benzyl (S)-2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoate
  • N-((Phenylmethoxy)carbonyl)-L-tryptophan phenylmethyl ester

Work with N-[(Phenylmethoxy)carbonyl]-L-tryptophan phenylmethyl ester

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

N-(Benzyloxycarbonyl)-DL-tryptophan13058-16-781 % similar N-(Benzyloxycarbonyl)-D-tryptophan2279-15-481 % similar Benzyloxycarbonyl-L-tryptophan7432-21-581 % similar H-D-Trp-obzl hcl22839-16-360 % similar L-Tryptophan benzyl ester hydrochloride35858-81-260 % similar N-Acetyl-L-tryptophan ethyl ester2382-80-160 % similar Fmoc-L-tryptophan35737-15-656 % similar N-tert-Butoxycarbonyl-L-tryptophan13139-14-555 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(1R,2R)-2-[[4′-[[(Phenylamino)carbonyl]amino][1,1′-biphenyl]-4-yl]carbonyl]cyclopentanecarboxylic acid959122-11-3

Elsewhere

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