CHEBI:128430 - N-(2-aminophenyl)-N'-[(2R,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]heptanediamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-(2-aminophenyl)-N'-[(2R,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]heptanediamide
ChEBI ID CHEBI:128430
Stars This entity has been manually annotated by a third party.
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Formula C35H44ClN5O7S
Net Charge 0
Average Mass 714.274
Monoisotopic Mass 713.26500
InChI InChI=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
InChIKey FLULYEBPWOEKQH-JLELKNTQSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)CCCCCC(=O)NC3=CC=CC=C3N)O[C@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)Cl)[C@H](C)CO
ChEBI Ontology
Outgoing N-(2-aminophenyl)-N'-[(2R,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]heptanediamide (CHEBI:128430) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-39985 LINCS
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