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N-[1-benzyl-2-keto-2-[(2-methyl-1-thiocarbamoyl-propyl)amino]ethyl]carbamic acid tert-butyl ester
SpectraBase Compound ID 3RzaKaISsb0
InChI InChI=1S/C19H29N3O3S/c1-12(2)15(16(20)26)22-17(23)14(11-13-9-7-6-8-10-13)21-18(24)25-19(3,4)5/h6-10,12,14-15H,11H2,1-5H3,(H2,20,26)(H,21,24)(H,22,23)
InChIKey ZXZHSGHNJVDRQX-UHFFFAOYSA-N
Mol Weight 379.52 g/mol
Molecular Formula C19H29N3O3S
Exact Mass 379.192963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6amLceHg04a
Name N-[1-benzyl-2-keto-2-[(2-methyl-1-thiocarbamoyl-propyl)amino]ethyl]carbamic acid tert-butyl ester
Alternate Name(s) N-[1-[(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid tert-butyl ester t-Butyloxycarbonyl-phenylalanyl-valinethioamide tert-Butyl 2-([1-(aminocarbothioyl)-2-methylpropyl]amino)-1-benzyl-2-oxoethylcarbamate tert-Butyl N-[1-benzyl-2-[(1-carbamothioyl-2-methyl-propyl)amino]-2-oxo-ethyl]carbamate tert-Butyl N-[1-[(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate tert-Butyl N-[1-[(1-azanyl-3-methyl-1-sulfanylidene-butan-2-yl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate
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Formula C19H29N3O3S
InChI InChI=1S/C19H29N3O3S/c1-12(2)15(16(20)26)22-17(23)14(11-13-9-7-6-8-10-13)21-18(24)25-19(3,4)5/h6-10,12,14-15H,11H2,1-5H3,(H2,20,26)(H,21,24)(H,22,23)
InChIKey ZXZHSGHNJVDRQX-UHFFFAOYSA-N
Molecular Weight 379.519 g/mol
SMILES N(C(C(=O)NC(C(=S)N)C(C)C)Cc1ccccc1)C(=O)OC(C)(C)C
SPLASH splash10-00dl-9721000000-2240b2b7552c16a6311c
Wiley ID 1478686