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1H-Pyrrole-3-propanoic acid, 5-[(1,1-dimethylethoxy)carbonyl]-2-[[3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-5-[(phenylmethoxy)carbonyl]-1H-pyrrol-2-yl]methyl]-4-methyl-, methyl ester
SpectraBase Compound ID 5Na8y9cVgyS
InChI InChI=1S/C34H42N2O10/c1-20-22(13-15-27(37)42-5)25(35-30(20)33(41)46-34(2,3)4)18-26-24(17-29(39)44-7)23(14-16-28(38)43-6)31(36-26)32(40)45-19-21-11-9-8-10-12-21/h8-12,35-36H,13-19H2,1-7H3
InChIKey KIHYGBFDWDPMMM-UHFFFAOYSA-N
Mol Weight 638.7 g/mol
Molecular Formula C34H42N2O10
Exact Mass 638.283946 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3gJKxr9EFTW
Name 1H-Pyrrole-3-propanoic acid, 5-[(1,1-dimethylethoxy)carbonyl]-2-[[3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-5-[(phenylmethoxy)carbonyl]-1H-pyrrol-2-yl]methyl]-4-methyl-, methyl ester
CAS Registry Number 74839-17-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H42N2O10
InChI InChI=1S/C34H42N2O10/c1-20-22(13-15-27(37)42-5)25(35-30(20)33(41)46-34(2,3)4)18-26-24(17-29(39)44-7)23(14-16-28(38)43-6)31(36-26)32(40)45-19-21-11-9-8-10-12-21/h8-12,35-36H,13-19H2,1-7H3
InChIKey KIHYGBFDWDPMMM-UHFFFAOYSA-N
Molecular Weight 638.714 g/mol
SMILES [nH]1c(c(c(c1Cc1c(c(c([nH]1)C(OCc1ccccc1)=O)CCC(=O)OC)CC(=O)OC)CCC(=O)OC)C)C(OC(C)(C)C)=O
SPLASH splash10-000t-0000090000-a0caa7485161c271dcef
Source of Spectrum KC-1987-294-31
Synonyms Benzyl 5'-t-butoxycarbonyl-4,4'-bis-(2-methoxycarbonyl)-3-methoxycarbonylmethyl-3'-methylpyrromethane-5,5'-dicarboxylate t-Butyl 5'-benzyloxycarbonyl-3,4'-bis(2-methoxycarbonylethyl)-3'-methoxycarbonylmethyl-4-methylpyrromethane-5-carboxylate tert-Butyl 5-{[5-[(benzyloxy)carbonyl]-3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl}-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylate
Wiley ID 1412498