1-[[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-16-[(1-methyl-4-imidazolyl)sulfonylamino]-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:129297)

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CHEBI:129297 - 1-[[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-16-[(1-methyl-4-imidazolyl)sulfonylamino]-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:129297
ChEBI Name	1-[[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-16-[(1-methyl-4-imidazolyl)sulfonylamino]-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	C30H48N6O7S
Net Charge	0
Average Mass	636.816
Monoisotopic Mass	636.33052
SMILES	CC(C)NC(=O)N(C)C[C@H]1OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3cn(C)cn3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C
InChI	InChI=1S/C30H48N6O7S/c1-20(2)32-30(39)35(7)16-27-21(3)15-36(22(4)18-37)29(38)25-14-24(33-44(40,41)28-17-34(6)19-31-28)11-12-26(25)43-23(5)10-8-9-13-42-27/h11-12,14,17,19-23,27,33,37H,8-10,13,15-16,18H2,1-7H3,(H,32,39)/t21-,22+,23+,27+/m0/s1
InChIKey	VCGJBQKPAYQRQW-IILZIBOQSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-16-[(1-methyl-4-imidazolyl)sulfonylamino]-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:129297) is a azamacrocycle (CHEBI:52898)
	1-[[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-16-[(1-methyl-4-imidazolyl)sulfonylamino]-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:129297) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-40848	LINCS