1-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea (CHEBI:103552)

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CHEBI:103552 - 1-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-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:103552
ChEBI Name	1-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-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	C30H51N5O6
Net Charge	0
Average Mass	577.767
Monoisotopic Mass	577.38393
SMILES	CC(C)NC(=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/C30H51N5O6/c1-19(2)31-29(38)33-24-12-13-26-25(15-24)28(37)35(22(6)18-36)16-21(5)27(17-34(8)30(39)32-20(3)4)40-14-10-9-11-23(7)41-26/h12-13,15,19-23,27,36H,9-11,14,16-18H2,1-8H3,(H,32,39)(H2,31,33,38)/t21-,22+,23-,27-/m0/s1
InChIKey	HPPNONYMLIWSNI-GIRPNKPCSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea (CHEBI:103552) is a azamacrocycle (CHEBI:52898)
	1-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea (CHEBI:103552) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-14896	LINCS