CHEBI:100583 - N-[(2S,4aR,12aR)-2-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-thiazolecarboxamide

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ChEBI Name N-[(2S,4aR,12aR)-2-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-thiazolecarboxamide
ChEBI ID CHEBI:100583
Stars This entity has been manually annotated by a third party.
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Formula C27H26Cl2N4O5S
Net Charge 0
Average Mass 589.492
Monoisotopic Mass 588.10010
InChI InChI=1S/C27H26Cl2N4O5S/c1-33-22-6-4-17(10-25(34)30-11-15-2-5-19(28)20(29)8-15)38-24(22)12-37-23-7-3-16(9-18(23)27(33)36)32-26(35)21-13-39-14-31-21/h2-3,5,7-9,13-14,17,22,24H,4,6,10-12H2,1H3,(H,30,34)(H,32,35)/t17-,22+,24-/m0/s1
InChIKey LHGVLKOLCXFJRT-YJGRUCBDSA-N
SMILES CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CSC=N4)CC(=O)NCC5=CC(=C(C=C5)Cl)Cl
ChEBI Ontology
Outgoing N-[(2S,4aR,12aR)-2-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-thiazolecarboxamide (CHEBI:100583) is a aromatic amide (CHEBI:62733)
N-[(2S,4aR,12aR)-2-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-thiazolecarboxamide (CHEBI:100583) is a thiazoles (CHEBI:48901)
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