1-[[(3S,9S,10S)-16-[(3,5-dimethyl-4-isoxazolyl)sulfonylamino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea (CHEBI:127360)

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CHEBI:127360 - 1-[[(3S,9S,10S)-16-[(3,5-dimethyl-4-isoxazolyl)sulfonylamino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea

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ChEBI ID	CHEBI:127360
ChEBI Name	1-[[(3S,9S,10S)-16-[(3,5-dimethyl-4-isoxazolyl)sulfonylamino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-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)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)NC(C)C)OCCCC[C@H](C)O2
InChI	InChI=1S/C31H49N5O8S/c1-19(2)32-31(39)35(8)17-28-20(3)16-36(21(4)18-37)30(38)26-15-25(34-45(40,41)29-23(6)33-44-24(29)7)12-13-27(26)43-22(5)11-9-10-14-42-28/h12-13,15,19-22,28,34,37H,9-11,14,16-18H2,1-8H3,(H,32,39)/t20-,21+,22-,28+/m0/s1
InChIKey	YFGRIXDADSVNPT-KJZXJLKKSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[[(3S,9S,10S)-16-[(3,5-dimethyl-4-isoxazolyl)sulfonylamino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea (CHEBI:127360) is a azamacrocycle (CHEBI:52898)
	1-[[(3S,9S,10S)-16-[(3,5-dimethyl-4-isoxazolyl)sulfonylamino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea (CHEBI:127360) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-38918	LINCS