1-[[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-(thiophen-2-ylsulfonylamino)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea (CHEBI:130709)

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CHEBI:130709 - 1-[[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-(thiophen-2-ylsulfonylamino)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea

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ChEBI ID	CHEBI:130709
ChEBI Name	1-[[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-(thiophen-2-ylsulfonylamino)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C37H46N4O7S2
Net Charge	0
Average Mass	722.930
Monoisotopic Mass	722.28079
SMILES	C[C@@H]1CCCCO[C@@H](CN(C)C(=O)Nc2cccc3ccccc23)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O1
InChI	InChI=1S/C37H46N4O7S2/c1-25-22-41(26(2)24-42)36(43)31-21-29(39-50(45,46)35-16-10-20-49-35)17-18-33(31)48-27(3)11-7-8-19-47-34(25)23-40(4)37(44)38-32-15-9-13-28-12-5-6-14-30(28)32/h5-6,9-10,12-18,20-21,25-27,34,39,42H,7-8,11,19,22-24H2,1-4H3,(H,38,44)/t25-,26+,27+,34-/m0/s1
InChIKey	IELFLNMYHKZCGM-DOKVQHETSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-(thiophen-2-ylsulfonylamino)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea (CHEBI:130709) is a azamacrocycle (CHEBI:52898)
	1-[[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-(thiophen-2-ylsulfonylamino)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea (CHEBI:130709) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-42258	LINCS