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Diethyl N-{p-[(3-Amino-2-mercaptopropyl)amino]benzoyl}glutamate
SpectraBase Compound ID 2YqMRJ3w1x3
InChI InChI=1S/C19H29N3O5S/c1-3-26-17(23)10-9-16(19(25)27-4-2)22-18(24)13-5-7-14(8-6-13)21-12-15(28)11-20/h5-8,15-16,21,28H,3-4,9-12,20H2,1-2H3,(H,22,24)/t15?,16-/m0/s1
InChIKey YVNKEJJQHHOMMV-LYKKTTPLSA-N
Mol Weight 411.52 g/mol
Molecular Formula C19H29N3O5S
Exact Mass 411.182792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5qOBk3ZX3Mh
Name Diethyl N-{p-[(3-Amino-2-mercaptopropyl)amino]benzoyl}glutamate
Alternate Name(s) (S)-Diethyl N-{p-[(3-Amino-2-mercaptopropyl)amino]benzoyl}glutamate Diethyl 2-({4-[(2-amino-3-sulfanylpropyl)amino]benzoyl}amino)pentanedioate Diethyl N-[p-(2-Amino-3-mercaptopropyl)aminobenzoyl]glutamate (2S)-2-[[[4-[(3-amino-2-mercaptopropyl)amino]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester Diethyl (2S)-2-[[4-[(3-amino-2-sulfanylpropyl)amino]benzoyl]amino]pentanedioate Diethyl (2S)-2-[[4-[(3-amino-2-sulfanyl-propyl)amino]benzoyl]amino]pentanedioate Diethyl (2S)-2-[[4-[(3-azanyl-2-sulfanyl-propyl)amino]phenyl]carbonylamino]pentanedioate
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Formula C19H29N3O5S
InChI InChI=1S/C19H29N3O5S/c1-3-26-17(23)10-9-16(19(25)27-4-2)22-18(24)13-5-7-14(8-6-13)21-12-15(28)11-20/h5-8,15-16,21,28H,3-4,9-12,20H2,1-2H3,(H,22,24)/t15?,16-/m0/s1
InChIKey YVNKEJJQHHOMMV-LYKKTTPLSA-N
Molecular Weight 411.517 g/mol
SMILES N(C(c1ccc(NCC(CN)S)cc1)=O)[C@](C(=O)OCC)(CCC(=O)OCC)[H]
SPLASH splash10-00e9-0900000000-aa8715f7fd8e47eaed4d
Source of Spectrum KC-0-836-5
Wiley ID 780939