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Diethyl N-(p-{[(3-benzyloxycarbonyl-2,2-dimethylthiazolin-5-yl)methyl]amino}benzoyl)glutamate
SpectraBase Compound ID 4CLkewPsdmF
InChI InChI=1S/C30H39N3O7S/c1-5-38-26(34)17-16-25(28(36)39-6-2)32-27(35)22-12-14-23(15-13-22)31-18-24-19-33(30(3,4)41-24)29(37)40-20-21-10-8-7-9-11-21/h7-15,24-25,31H,5-6,16-20H2,1-4H3,(H,32,35)/t24?,25-/m0/s1
InChIKey ILQLRLSBVDEFHT-BBMPLOMVSA-N
Mol Weight 585.7 g/mol
Molecular Formula C30H39N3O7S
Exact Mass 585.250872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LtFzMxM4JqI
Name Diethyl N-(p-{[(3-benzyloxycarbonyl-2,2-dimethylthiazolin-5-yl)methyl]amino}benzoyl)glutamate
Alternate Name(s) (2S)-2-[[[4-[(2,2-dimethyl-3-phenylmethoxycarbonyl-5-thiazolidinyl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester Diethyl (2S)-2-[[4-[(2,2-dimethyl-3-phenylmethoxycarbonyl-1,3-thiazolidin-5-yl)methylamino]benzoyl]amino]pentanedioate Diethyl (2S)-2-[[4-[(3-benzyloxycarbonyl-2,2-dimethyl-thiazolidin-5-yl)methylamino]benzoyl]amino]pentanedioate Diethyl (2S)-2-[[4-[(2,2-dimethyl-3-phenylmethoxycarbonyl-1,3-thiazolidin-5-yl)methylamino]phenyl]carbonylamino]pentanedioate
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Formula C30H39N3O7S
InChI InChI=1S/C30H39N3O7S/c1-5-38-26(34)17-16-25(28(36)39-6-2)32-27(35)22-12-14-23(15-13-22)31-18-24-19-33(30(3,4)41-24)29(37)40-20-21-10-8-7-9-11-21/h7-15,24-25,31H,5-6,16-20H2,1-4H3,(H,32,35)/t24?,25-/m0/s1
InChIKey ILQLRLSBVDEFHT-BBMPLOMVSA-N
Molecular Weight 585.716 g/mol
SMILES N(CC1CN(C(S1)(C)C)C(OCc1ccccc1)=O)c1ccc(C(N[C@](C(=O)OCC)(CCC(=O)OCC)[H])=O)cc1
SPLASH splash10-001i-0904010000-745e2450e3f693e1fcdd
Source of Spectrum KC-0-835-10
Wiley ID 780941