N-[(2S,3R)-2-[[(3,5-dimethyl-4-isoxazolyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide (CHEBI:130006)

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CHEBI:130006 - N-[(2S,3R)-2-[[(3,5-dimethyl-4-isoxazolyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide

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ChEBI ID	CHEBI:130006
ChEBI Name	N-[(2S,3R)-2-[[(3,5-dimethyl-4-isoxazolyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
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Last Modified	7 March 2018
Downloads	Molfile

Formula	C26H32N6O7S
Net Charge	0
Average Mass	572.644
Monoisotopic Mass	572.20532
SMILES	Cc1noc(C)c1S(=O)(=O)N(C)C[C@H]1Oc2c(NC(=O)c3cnccn3)cccc2C(=O)N([C@H](C)CO)C[C@H]1C
InChI	InChI=1S/C26H32N6O7S/c1-15-12-32(16(2)14-33)26(35)19-7-6-8-20(29-25(34)21-11-27-9-10-28-21)23(19)38-22(15)13-31(5)40(36,37)24-17(3)30-39-18(24)4/h6-11,15-16,22,33H,12-14H2,1-5H3,(H,29,34)/t15-,16-,22-/m1/s1
InChIKey	NBSWDDYYSVSJDY-XCGNWRKASA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2S,3R)-2-[[(3,5-dimethyl-4-isoxazolyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide (CHEBI:130006) is a pyrazines (CHEBI:38314)
	N-[(2S,3R)-2-[[(3,5-dimethyl-4-isoxazolyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide (CHEBI:130006) is a secondary carboxamide (CHEBI:140325)
	N-[(2S,3R)-2-[[(3,5-dimethyl-4-isoxazolyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide (CHEBI:130006) is a tertiary carboxamide (CHEBI:140326)

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