CHEBI:95441 - N-[(2S,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide

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ChEBI Name N-[(2S,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide
ChEBI ID CHEBI:95441
Stars This entity has been manually annotated by a third party.
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Formula C34H36F2N4O5
Net Charge 0
Average Mass 618.672
Monoisotopic Mass 618.26538
InChI InChI=1S/C34H36F2N4O5/c1-39-29-11-9-25(17-32(41)37-24-13-14-40(19-24)18-21-5-3-2-4-6-21)45-31(29)20-44-30-12-8-23(16-26(30)34(39)43)38-33(42)22-7-10-27(35)28(36)15-22/h2-8,10,12,15-16,24-25,29,31H,9,11,13-14,17-20H2,1H3,(H,37,41)(H,38,42)/t24-,25+,29+,31+/m1/s1
InChIKey UWMJOJNRDSZDAZ-ZREQJXQJSA-N
SMILES CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)F)F)CC(=O)N[C@@H]5CCN(C5)CC6=CC=CC=C6
ChEBI Ontology
Outgoing N-[(2S,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide (CHEBI:95441) is a carbonyl compound (CHEBI:36586)
N-[(2S,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide (CHEBI:95441) is a organohalogen compound (CHEBI:17792)
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