3-cyclohexyl-1-[[(3S,9S,10S)-16-[(3,5-dimethyl-4-isoxazolyl)sulfonylamino]-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-9-yl]methyl]-1-methylurea (CHEBI:125731)

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CHEBI:125731 - 3-cyclohexyl-1-[[(3S,9S,10S)-16-[(3,5-dimethyl-4-isoxazolyl)sulfonylamino]-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-9-yl]methyl]-1-methylurea

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ChEBI ID	CHEBI:125731
ChEBI Name	3-cyclohexyl-1-[[(3S,9S,10S)-16-[(3,5-dimethyl-4-isoxazolyl)sulfonylamino]-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-9-yl]methyl]-1-methylurea
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C34H53N5O8S
Net Charge	0
Average Mass	691.892
Monoisotopic Mass	691.36148
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)NC1CCCCC1)OCCCC[C@H](C)O2
InChI	InChI=1S/C34H53N5O8S/c1-22-19-39(23(2)21-40)33(41)29-18-28(37-48(43,44)32-25(4)36-47-26(32)5)15-16-30(29)46-24(3)12-10-11-17-45-31(22)20-38(6)34(42)35-27-13-8-7-9-14-27/h15-16,18,22-24,27,31,37,40H,7-14,17,19-21H2,1-6H3,(H,35,42)/t22-,23-,24-,31+/m0/s1
InChIKey	ZQVGKRUXDGWSCM-ILSPQUDCSA-N

ChEBI Ontology

Outgoing Relation(s)
	3-cyclohexyl-1-[[(3S,9S,10S)-16-[(3,5-dimethyl-4-isoxazolyl)sulfonylamino]-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-9-yl]methyl]-1-methylurea (CHEBI:125731) is a azamacrocycle (CHEBI:52898)
	3-cyclohexyl-1-[[(3S,9S,10S)-16-[(3,5-dimethyl-4-isoxazolyl)sulfonylamino]-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-9-yl]methyl]-1-methylurea (CHEBI:125731) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-37300	LINCS