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5-Acetyl-2-(adamantylamino)-4-amino-N-(4-{[(3,4-dimethylisoxazol-5-yl)amino] sulfonyl}phenyl) thiophene-3-carboxamide
SpectraBase Compound ID 4I8h1FbWbzU
InChI InChI=1S/C28H33N5O5S2/c1-14-15(2)32-38-26(14)33-40(36,37)21-6-4-20(5-7-21)30-25(35)22-23(29)24(16(3)34)39-27(22)31-28-11-17-8-18(12-28)10-19(9-17)13-28/h4-7,17-19,31,33H,8-13,29H2,1-3H3,(H,30,35)/t17-,18+,19-,28-
InChIKey ZWSWALVIZDPHBB-AADAIPAGSA-N
Mol Weight 583.7 g/mol
Molecular Formula C28H33N5O5S2
Exact Mass 583.192312 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8njkPz1JqcK
Name 5-Acetyl-2-(adamantylamino)-4-amino-N-(4-{[(3,4-dimethylisoxazol-5-yl)amino] sulfonyl}phenyl) thiophene-3-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H33N5O5S2
InChI InChI=1S/C28H33N5O5S2/c1-14-15(2)32-38-26(14)33-40(36,37)21-6-4-20(5-7-21)30-25(35)22-23(29)24(16(3)34)39-27(22)31-28-11-17-8-18(12-28)10-19(9-17)13-28/h4-7,17-19,31,33H,8-13,29H2,1-3H3,(H,30,35)/t17-,18+,19-,28-
InChIKey ZWSWALVIZDPHBB-AADAIPAGSA-N
Molecular Weight 583.722 g/mol
SMILES Nc1c(sc(c1C(Nc1ccc(S(Nc2c(c(C)no2)C)(=O)=O)cc1)=O)NC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(=O)C
SPLASH splash10-001i-1100090000-c72ddcf81510c2f521b9
Source of Spectrum EMC-84-500-4d
Synonyms 5-Acetyl-2-(adamantan-1-ylamino)-4-amino-N-(4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)thiophene-3-carboxamide
Wiley ID 1740177