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CHEBI:129320 - N-(2-aminophenyl)-N'-[(2S,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]heptanediamide

ChEBI IDCHEBI:129320
ChEBI NameN-(2-aminophenyl)-N'-[(2S,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]heptanediamide
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FormulaC35H44ClN5O7S
Net Charge0
Average Mass714.285
Monoisotopic Mass713.26500
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)c2O[C@@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C35H44ClN5O7S/c1-23-20-41(24(2)22-42)35(45)27-10-9-13-30(34(27)48-31(23)21-40(3)49(46,47)26-18-16-25(36)17-19-26)39-33(44)15-6-4-5-14-32(43)38-29-12-8-7-11-28(29)37/h7-13,16-19,23-24,31,42H,4-6,14-15,20-22,37H2,1-3H3,(H,38,43)(H,39,44)/t23-,24-,31+/m0/s1
InChIKeyFLULYEBPWOEKQH-ISTJGCCRSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(2-aminophenyl)-N'-[(2S,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]heptanediamide (CHEBI:129320) is a sulfonamide (CHEBI:35358)
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