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2-Ethoxycarbonyl-3-(1H-indol-3-yl)-4-[phenylmethoxycarbonyl-(phenylmethyl)amino]butanoic acid
SpectraBase Compound ID 8mo6Q4zvjiS
InChI InChI=1S/C30H30N2O6/c1-2-37-29(35)27(28(33)34)25(24-17-31-26-16-10-9-15-23(24)26)19-32(18-21-11-5-3-6-12-21)30(36)38-20-22-13-7-4-8-14-22/h3-17,25,27,31H,2,18-20H2,1H3,(H,33,34)
InChIKey MHKZVEQBLVGDQB-UHFFFAOYSA-N
Mol Weight 514.58 g/mol
Molecular Formula C30H30N2O6
Exact Mass 514.210387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7SWxUijzJ2i
Name 2-Ethoxycarbonyl-3-(1H-indol-3-yl)-4-[phenylmethoxycarbonyl-(phenylmethyl)amino]butanoic acid
Alternate Name(s) 4-[benzyl(carbobenzoxy)amino]-2-carbethoxy-3-(1H-indol-3-yl)butyric acid 4-[benzyl(phenylmethoxycarbonyl)amino]-2-ethoxycarbonyl-3-(1H-indol-3-yl)butanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H30N2O6
InChI InChI=1S/C30H30N2O6/c1-2-37-29(35)27(28(33)34)25(24-17-31-26-16-10-9-15-23(24)26)19-32(18-21-11-5-3-6-12-21)30(36)38-20-22-13-7-4-8-14-22/h3-17,25,27,31H,2,18-20H2,1H3,(H,33,34)
InChIKey MHKZVEQBLVGDQB-UHFFFAOYSA-N
Molecular Weight 514.578 g/mol
SMILES OC(C(C(c1c[nH]c2c1cccc2)CN(C(OCc1ccccc1)=O)Cc1ccccc1)C(=O)OCC)=O
SPLASH splash10-01bc-0590300000-36a2a24dcd48fbee628d
Source of Spectrum U1-2000-3056-16
Wiley ID 753946