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

*Links on SpectraBase are not permalinks.

[O-methyl-D-tyrosine-N-[(1-oxo-6-methyl-8-phenyl)octa-2,7-dien-5-yl] (2S,2'R)-2-(3'-amino-2'-methylpropanoyl]oxy]-4-methypentanoate

View entire compound with spectra: 1 MS (GC)

[O-methyl-D-tyrosine-N-[(1-oxo-6-methyl-8-phenyl)octa-2,7-dien-5-yl] (2S,2'R)-2-(3'-amino-2'-methylpropanoyl]oxy]-4-methypentanoate
SpectraBase Compound ID Ksyl5EDOdwC
InChI InChI=1S/C35H46N2O8/c1-23(2)20-31(45-34(41)25(4)22-36)35(42)44-30(24(3)14-15-26-10-7-6-8-11-26)12-9-13-32(38)37-29(33(39)40)21-27-16-18-28(43-5)19-17-27/h6-11,13-19,23-25,29-31H,12,20-22,36H2,1-5H3,(H,37,38)(H,39,40)/b13-9+,15-14+/t24-,25-,29-,30+,31+/m1/s1
InChIKey GWDWTLQPGBXGFK-FBLQQVRNSA-N
Mol Weight 622.8 g/mol
Molecular Formula C35H46N2O8
Exact Mass 622.325416 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 6fMAlgxbBl6
Name [O-methyl-D-tyrosine-N-[(1-oxo-6-methyl-8-phenyl)octa-2,7-dien-5-yl] (2S,2'R)-2-(3'-amino-2'-methylpropanoyl]oxy]-4-methypentanoate
Alternate Name(s) (S)-2-((R)-3-Amino-2-methyl-propionyloxy)-4-methyl-pentanoic acid (E)-(1S,2R)-1-{(E)-3-[(R)-1-carboxy-2-(4-methoxy-phenyl)-ethylcarbamoyl]-allyl}-2-methyl-4-phenyl-but-3-enyl ester (2R)-2-[[(2E,5S,6R,7E)-5-[(2S)-2-[(2R)-3-amino-2-methyl-1-oxopropoxy]-4-methyl-1-oxopentoxy]-6-methyl-1-oxo-8-phenylocta-2,7-dienyl]amino]-3-(4-methoxyphenyl)propanoic acid (2R)-2-[[(2E,5S,6R,7E)-5-[(2S)-2-[(2R)-3-amino-2-methylpropanoyl]oxy-4-methylpentanoyl]oxy-6-methyl-8-phenylocta-2,7-dienoyl]amino]-3-(4-methoxyphenyl)propanoic acid (2R)-2-[[(2E,5S,6R,7E)-5-[(2S)-2-[(2R)-3-amino-2-methyl-propanoyl]oxy-4-methyl-pentanoyl]oxy-6-methyl-8-phenyl-octa-2,7-dienoyl]amino]-3-(4-methoxyphenyl)propanoic acid (2R)-2-[[(2E,5S,6R,7E)-5-[(2S)-2-[(2R)-3-azanyl-2-methyl-propanoyl]oxy-4-methyl-pentanoyl]oxy-6-methyl-8-phenyl-octa-2,7-dienoyl]amino]-3-(4-methoxyphenyl)propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H46N2O8
InChI InChI=1S/C35H46N2O8/c1-23(2)20-31(45-34(41)25(4)22-36)35(42)44-30(24(3)14-15-26-10-7-6-8-11-26)12-9-13-32(38)37-29(33(39)40)21-27-16-18-28(43-5)19-17-27/h6-11,13-19,23-25,29-31H,12,20-22,36H2,1-5H3,(H,37,38)(H,39,40)/b13-9+,15-14+/t24-,25-,29-,30+,31+/m1/s1
InChIKey GWDWTLQPGBXGFK-FBLQQVRNSA-N
Molecular Weight 622.759 g/mol
SMILES N([C@@](C(=O)O)(Cc1ccc(cc1)OC)[H])C(\C=C\C[C@](OC([C@@](OC([C@@](CN)(C)[H])=O)(CC(C)C)[H])=O)([C@@](\C=C\c1ccccc1)(C)[H])[H])=O
SPLASH splash10-0a4r-0009200000-c39b85acb180a583479e
Source of Spectrum C-117-2489-1
Wiley ID 758757