1-[(3R,9S,10R)-9-[[(3,5-dimethyl-4-isoxazolyl)sulfonyl-methylamino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea (CHEBI:128625)

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CHEBI:128625 - 1-[(3R,9S,10R)-9-[[(3,5-dimethyl-4-isoxazolyl)sulfonyl-methylamino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea

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ChEBI ID	CHEBI:128625
ChEBI Name	1-[(3R,9S,10R)-9-[[(3,5-dimethyl-4-isoxazolyl)sulfonyl-methylamino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C31H49N5O8S
Net Charge	0
Average Mass	651.827
Monoisotopic Mass	651.33018
SMILES	Cc1noc(C)c1S(=O)(=O)N(C)C[C@H]1OCCCC[C@@H](C)Oc2ccc(NC(=O)NC(C)C)cc2C(=O)N([C@@H](C)CO)C[C@H]1C
InChI	InChI=1S/C31H49N5O8S/c1-19(2)32-31(39)33-25-12-13-27-26(15-25)30(38)36(21(4)18-37)16-20(3)28(42-14-10-9-11-22(5)43-27)17-35(8)45(40,41)29-23(6)34-44-24(29)7/h12-13,15,19-22,28,37H,9-11,14,16-18H2,1-8H3,(H2,32,33,39)/t20-,21+,22-,28-/m1/s1
InChIKey	HFYAGWLQLDEQBZ-BUUPBASBSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[(3R,9S,10R)-9-[[(3,5-dimethyl-4-isoxazolyl)sulfonyl-methylamino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea (CHEBI:128625) is a azamacrocycle (CHEBI:52898)
	1-[(3R,9S,10R)-9-[[(3,5-dimethyl-4-isoxazolyl)sulfonyl-methylamino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea (CHEBI:128625) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-40179	LINCS