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L-Tyrosine, N-[N-[N-(4-methoxy-1,4-dioxobutyl)-N-methyl-L-.alpha.-glutamyl]-N,O-d imethyl-L-threonyl]-N,O-dimethyl-, dimethyl ester
SpectraBase Compound ID 9jfd45ppI0R
InChI InChI=1S/C30H45N3O11/c1-19(40-5)27(29(38)32(3)23(30(39)44-9)18-20-10-12-21(41-6)13-11-20)33(4)28(37)22(14-16-25(35)42-7)31(2)24(34)15-17-26(36)43-8/h10-13,19,22-23,27H,14-18H2,1-9H3/t19-,22+,23+,27+/m1/s1
InChIKey DMHAYBHZWLFOAK-POOOFZJFSA-N
Mol Weight 623.7 g/mol
Molecular Formula C30H45N3O11
Exact Mass 623.305409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HHcmN7ME7Ao
Name L-Tyrosine, N-[N-[N-(4-methoxy-1,4-dioxobutyl)-N-methyl-L-.alpha.-glutamyl]-N,O-d imethyl-L-threonyl]-N,O-dimethyl-, dimethyl ester
Alternate Name(s) Methyl (4S)-5-[((1S,2R)-2-methoxy-1-{[[(1S)-2-methoxy-1-(4-methoxybenzyl)-2-oxoethyl](methyl)amino]carbonyl}propyl)(methyl)amino]-4-[(4-methoxy-4-oxobutanoyl)(methyl)amino]-5-oxopentanoate N,O-methyl derivative of N-sucanylglutamylthreonyltyrasine
CAS Registry Number 62061-76-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H45N3O11
InChI InChI=1S/C30H45N3O11/c1-19(40-5)27(29(38)32(3)23(30(39)44-9)18-20-10-12-21(41-6)13-11-20)33(4)28(37)22(14-16-25(35)42-7)31(2)24(34)15-17-26(36)43-8/h10-13,19,22-23,27H,14-18H2,1-9H3/t19-,22+,23+,27+/m1/s1
InChIKey DMHAYBHZWLFOAK-POOOFZJFSA-N
Molecular Weight 623.700 g/mol
SMILES C([C@@](N(C([C@@](N(C(=O)CCC(=O)OC)C)(CCC(=O)OC)[H])=O)C)([C@](OC)(C)[H])[H])(N([C@](C(=O)OC)(Cc1ccc(cc1)OC)[H])C)=O
SPLASH splash10-0007-4940000000-9af30e455d7e48827556
Source of Spectrum KO-3-195-4
Wiley ID 1411714