| SpectraBase Spectrum ID |
6Ar5HfMKMR4 |
| Name |
L-Tryptophan, 6-methoxy-2-[3-methyl-1-oxo-3-(phenylthio)butyl]-N-[1-[(2,2,2-trichloroethoxy)carbonyl]-L-prolyl]-, methyl ester |
| CAS Registry Number |
116611-97-3 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C32H36Cl3N3O7S |
| InChI |
InChI=1S/C32H36Cl3N3O7S/c1-31(2,46-20-9-6-5-7-10-20)17-26(39)27-22(21-13-12-19(43-3)15-23(21)36-27)16-24(29(41)44-4)37-28(40)25-11-8-14-38(25)30(42)45-18-32(33,34)35/h5-7,9-10,12-13,15,24-25,36H,8,11,14,16-18H2,1-4H3,(H,37,40)/t24-,25-/m0/s1 |
| InChIKey |
XFCSMDOVMVMJIX-DQEYMECFSA-N |
| Molecular Weight |
713.073 g/mol |
| SMILES |
[nH]1c2c(c(C[C@](NC([C@]3(N(C(OCC(Cl)(Cl)Cl)=O)CCC3)[H])=O)(C(=O)OC)[H])c1C(CC(Sc1ccccc1)(C)C)=O)ccc(c2)OC |
| SPLASH |
splash10-03di-6490000000-76a1d27e25541ab3350f |
| Source of Spectrum |
F-44-370-33 |
| Synonyms |
2,2,2-trichloroethyl (2S)-2-({[(1S)-2-methoxy-1-({6-methoxy-2-[3-methyl-3-(phenylsulfanyl)butanoyl]-1H-indol-3-yl}methyl)-2-oxoethyl]amino}carbonyl)-1-pyrrolidinecarboxylate
6-Methoxy-2-(3-methyl-3-phenylthiobutanonyl)-3-(2-methylcarboxy-2-((n-2,2,2-trichloroethylcarboxyprolyl)amino)ethyl)indole |
| Wiley ID |
1415380 |
![L-Tryptophan, 6-methoxy-2-[3-methyl-1-oxo-3-(phenylthio)butyl]-N-[1-[(2,2,2-trichloroethoxy)carbonyl]-L-prolyl]-, methyl ester](/api/spectrum/6Ar5HfMKMR4/structure.png?h=300&w=458 "L-Tryptophan, 6-methoxy-2-[3-methyl-1-oxo-3-(phenylthio)butyl]-N-[1-[(2,2,2-trichloroethoxy)carbonyl]-L-prolyl]-, methyl ester")
