CHEBI:97450 - N-[(2S,4aS,12aS)-2-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]pyrazine-2-carboxamide

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ChEBI Name N-[(2S,4aS,12aS)-2-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]pyrazine-2-carboxamide
ChEBI ID CHEBI:97450
Stars This entity has been manually annotated by a third party.
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Formula C32H36N6O5
Net Charge 0
Average Mass 584.667
Monoisotopic Mass 584.27472
InChI InChI=1S/C32H36N6O5/c1-37-27-9-8-24(16-30(39)35-23-11-14-38(19-23)18-21-5-3-2-4-6-21)43-29(27)20-42-28-10-7-22(15-25(28)32(37)41)36-31(40)26-17-33-12-13-34-26/h2-7,10,12-13,15,17,23-24,27,29H,8-9,11,14,16,18-20H2,1H3,(H,35,39)(H,36,40)/t23-,24-,27-,29+/m0/s1
InChIKey HJSUWZUIIQDZFE-AECHJOTKSA-N
SMILES CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=NC=CN=C4)CC(=O)N[C@H]5CCN(C5)CC6=CC=CC=C6
ChEBI Ontology
Outgoing N-[(2S,4aS,12aS)-2-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]pyrazine-2-carboxamide (CHEBI:97450) is a pyrazines (CHEBI:38314)
N-[(2S,4aS,12aS)-2-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]pyrazine-2-carboxamide (CHEBI:97450) is a secondary carboxamide (CHEBI:140325)
N-[(2S,4aS,12aS)-2-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]pyrazine-2-carboxamide (CHEBI:97450) is a tertiary carboxamide (CHEBI:140326)
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Last Modified
07 March 2018