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O-dimethylaminobenzylideneleucyltryptophylleucine ethyl ester
SpectraBase Compound ID 2spaQ7f8Wqe
InChI InChI=1S/C34H47N5O4/c1-8-43-34(42)30(18-23(4)5)38-33(41)29(19-25-21-35-27-15-11-10-14-26(25)27)37-32(40)28(17-22(2)3)36-20-24-13-9-12-16-31(24)39(6)7/h9-16,20-23,28-30,35H,8,17-19H2,1-7H3,(H,37,40)(H,38,41)/b36-20+
InChIKey YGYTWWQMIBMBSJ-ZSNJKBEMSA-N
Mol Weight 589.8 g/mol
Molecular Formula C34H47N5O4
Exact Mass 589.362805 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FWrtLJKdbMz
Name O-dimethylaminobenzylideneleucyltryptophylleucine ethyl ester
CAS Registry Number 58068-88-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H47N5O4
InChI InChI=1S/C34H47N5O4/c1-8-43-34(42)30(18-23(4)5)38-33(41)29(19-25-21-35-27-15-11-10-14-26(25)27)37-32(40)28(17-22(2)3)36-20-24-13-9-12-16-31(24)39(6)7/h9-16,20-23,28-30,35H,8,17-19H2,1-7H3,(H,37,40)(H,38,41)/b36-20+
InChIKey YGYTWWQMIBMBSJ-ZSNJKBEMSA-N
Molecular Weight 589.781 g/mol
SMILES [nH]1c2c(c(CC(C(NC(C(=O)OCC)CC(C)C)=O)NC(C(\N=C\c3c(N(C)C)cccc3)CC(C)C)=O)c1)cccc2
SPLASH splash10-00e9-2920000000-933c56b95218caa44b3e
Source of Spectrum O-10-691-2
Synonyms Ethyl 2-{[2-{[2-({(E)-[2-(dimethylamino)phenyl]methylidene}amino)-4-methylpentanoyl]amino}-3-(1H-indol-3-yl)propanoyl]amino}-4-methylpentanoate
Wiley ID 1409258