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

C₂₆H₂₄N₂O₄CAS 69876-37-5428.49 g/mol

Open in Covalent MOL file

Alcohol 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 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 8

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

Weigh it out

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

Names and synonyms

2 names

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

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

Same formula

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook