1-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea (CHEBI:103597)

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CHEBI:103597 - 1-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea

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ChEBI ID	CHEBI:103597
ChEBI Name	1-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
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Downloads	Molfile

Formula	C29H50N4O5
Net Charge	0
Average Mass	534.742
Monoisotopic Mass	534.37812
SMILES	CCCN(C)C[C@H]1OCCCC[C@@H](C)Oc2ccc(NC(=O)NC(C)C)cc2C(=O)N([C@@H](C)CO)C[C@H]1C
InChI	InChI=1S/C29H50N4O5/c1-8-14-32(7)18-27-21(4)17-33(22(5)19-34)28(35)25-16-24(31-29(36)30-20(2)3)12-13-26(25)38-23(6)11-9-10-15-37-27/h12-13,16,20-23,27,34H,8-11,14-15,17-19H2,1-7H3,(H2,30,31,36)/t21-,22+,23-,27-/m1/s1
InChIKey	OXLKGXSDHBDOHC-QSGNWFJVSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea (CHEBI:103597) is a azamacrocycle (CHEBI:52898)
	1-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea (CHEBI:103597) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-14941	LINCS