CHEBI:126715 - N'-(2-aminophenyl)-N-[(2S,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide

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ChEBI Name N'-(2-aminophenyl)-N-[(2S,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide
ChEBI ID CHEBI:126715
Stars This entity has been manually annotated by a third party.
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Formula C36H46ClN5O7S
Net Charge 0
Average Mass 728.300
Monoisotopic Mass 727.28065
InChI InChI=1S/C36H46ClN5O7S/c1-24-21-42(25(2)23-43)36(46)20-26-19-28(39-34(44)11-5-4-6-12-35(45)40-31-10-8-7-9-30(31)38)15-18-32(26)49-33(24)22-41(3)50(47,48)29-16-13-27(37)14-17-29/h7-10,13-19,24-25,33,43H,4-6,11-12,20-23,38H2,1-3H3,(H,39,44)(H,40,45)/t24-,25+,33+/m0/s1
InChIKey ZPDAXSAOPWEADL-JQASONJCSA-N
SMILES C[C@H]1CN(C(=O)CC2=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-[(2S,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide (CHEBI:126715) is a sulfonamide (CHEBI:35358)
Manual Xref Database
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