For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-Phenylthiocarbonyl-2-(N-phthaloyl)-N-[1-(tert-butoxycarbonyl)-2-tert-butyloxyethyl]butanamide
SpectraBase Compound ID ItEPxE6iaAz
InChI InChI=1S/C30H36N2O7S/c1-29(2,3)38-18-22(28(37)39-30(4,5)6)31-25(34)23(16-17-24(33)40-19-12-8-7-9-13-19)32-26(35)20-14-10-11-15-21(20)27(32)36/h7-15,22-23H,16-18H2,1-6H3,(H,31,34)/t22-,23-/m0/s1
InChIKey VSOAKBDEJICAMO-GOTSBHOMSA-N
Mol Weight 568.7 g/mol
Molecular Formula C30H36N2O7S
Exact Mass 568.224323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 50TlS7gNvG4
Name 4-Phenylthiocarbonyl-2-(N-phthaloyl)-N-[1-(tert-butoxycarbonyl)-2-tert-butyloxyethyl]butanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H36N2O7S
InChI InChI=1S/C30H36N2O7S/c1-29(2,3)38-18-22(28(37)39-30(4,5)6)31-25(34)23(16-17-24(33)40-19-12-8-7-9-13-19)32-26(35)20-14-10-11-15-21(20)27(32)36/h7-15,22-23H,16-18H2,1-6H3,(H,31,34)/t22-,23-/m0/s1
InChIKey VSOAKBDEJICAMO-GOTSBHOMSA-N
Molecular Weight 568.685 g/mol
SMILES N([C@](C(OC(C)(C)C)=O)(COC(C)(C)C)[H])C([C@@](N1C(c2ccccc2C1=O)=O)(CCC(Sc1ccccc1)=O)[H])=O
SPLASH splash10-0a4i-9406000000-638af8ca70d1911408fb
Source of Spectrum F-55-10180-13
Synonyms (S)-3-tert-Butoxy-2-[(S)-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-4-phenylsulfanylcarbonyl-butyrylamino]-propionic acid tert-butyl ester tert-Butyl 3-tert-butoxy-2-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-5-oxo-5-(phenylsulfanyl)pentanoyl]amino}propanoate
Wiley ID 838872