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CHEBI:127589 - N'-(2-aminophenyl)-N-[(2S,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]heptanediamide

ChEBI IDCHEBI:127589
ChEBI NameN'-(2-aminophenyl)-N-[(2S,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]heptanediamide
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FormulaC35H44ClN5O7S
Net Charge0
Average Mass714.285
Monoisotopic Mass713.26500
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2C1=O
InChIInChI=1S/C35H44ClN5O7S/c1-23-20-41(24(2)22-42)35(45)28-19-26(38-33(43)11-5-4-6-12-34(44)39-30-10-8-7-9-29(30)37)15-18-31(28)48-32(23)21-40(3)49(46,47)27-16-13-25(36)14-17-27/h7-10,13-19,23-24,32,42H,4-6,11-12,20-22,37H2,1-3H3,(H,38,43)(H,39,44)/t23-,24+,32+/m0/s1
InChIKeyRHYTZGVPXCXTDU-JOUUIMRQSA-N
ChEBI Ontology
Outgoing Relation(s)
N'-(2-aminophenyl)-N-[(2S,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]heptanediamide (CHEBI:127589) is a sulfonamide (CHEBI:35358)
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