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2-[1-({2-[1-({2-[(tert-butoxycarbonylamino)methyl]thiazol-4-yl}carbonylamino)-2-methylpropyl]thiazole-4-yl}carbonylamino)ethyl]-5-methyloxazole-4-carboxylic acid
SpectraBase Compound ID 6Lf0ygS5KNv
InChI InChI=1S/C25H32N6O7S2/c1-11(2)17(30-20(33)14-9-39-16(28-14)8-26-24(36)38-25(5,6)7)22-29-15(10-40-22)19(32)27-12(3)21-31-18(23(34)35)13(4)37-21/h9-12,17H,8H2,1-7H3,(H,26,36)(H,27,32)(H,30,33)(H,34,35)
InChIKey SDJCHRITBMFRKS-UHFFFAOYSA-N
Mol Weight 592.7 g/mol
Molecular Formula C25H32N6O7S2
Exact Mass 592.17739 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7BTLXPiwAD7
Name 2-[1-({2-[1-({2-[(tert-butoxycarbonylamino)methyl]thiazol-4-yl}carbonylamino)-2-methylpropyl]thiazole-4-yl}carbonylamino)ethyl]-5-methyloxazole-4-carboxylic acid
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Formula C25H32N6O7S2
InChI InChI=1S/C25H32N6O7S2/c1-11(2)17(30-20(33)14-9-39-16(28-14)8-26-24(36)38-25(5,6)7)22-29-15(10-40-22)19(32)27-12(3)21-31-18(23(34)35)13(4)37-21/h9-12,17H,8H2,1-7H3,(H,26,36)(H,27,32)(H,30,33)(H,34,35)
InChIKey SDJCHRITBMFRKS-UHFFFAOYSA-N
Molecular Weight 592.686 g/mol
SMILES N(C(c1nc(C(NC(c2nc(CNC(OC(C)(C)C)=O)sc2)=O)C(C)C)sc1)=O)C(c1nc(C(=O)O)c(o1)C)C
SPLASH splash10-008i-8900600000-833d408309e9fe32f157
Source of Spectrum KC-0-606-16
Synonyms 2-[1-({[2-(1-{[(2-{[(tert-butoxycarbonyl)amino]methyl}-1,3-thiazol-4-yl)carbonyl]amino}-2-methylpropyl)-1,3-thiazol-4-yl]carbonyl}amino)ethyl]-5-methyl-1,3-oxazole-4-carboxylic acid
Wiley ID 824450