1-[[(3R,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-phenylurea (CHEBI:103580)

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CHEBI:103580 - 1-[[(3R,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-phenylurea

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ChEBI ID	CHEBI:103580
ChEBI Name	1-[[(3R,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-phenylurea
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C33H49N5O6
Net Charge	0
Average Mass	611.784
Monoisotopic Mass	611.36828
SMILES	CC(C)NC(=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/C33H49N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24+,25+,30-/m0/s1
InChIKey	GBDHSNMZLIRBLK-RPQPUBLWSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[[(3R,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-phenylurea (CHEBI:103580) is a azamacrocycle (CHEBI:52898)
	1-[[(3R,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-phenylurea (CHEBI:103580) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-14924	LINCS