1-[[(3R,9R,10S)-16-[[anilino(oxo)methyl]amino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea (CHEBI:130647)

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CHEBI:130647 - 1-[[(3R,9R,10S)-16-[[anilino(oxo)methyl]amino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-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:130647
ChEBI Name	1-[[(3R,9R,10S)-16-[[anilino(oxo)methyl]amino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-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	C40H49N5O6
Net Charge	0
Average Mass	695.861
Monoisotopic Mass	695.36828
SMILES	C[C@@H]1CCCCO[C@@H](CN(C)C(=O)Nc2cccc3ccccc23)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O1
InChI	InChI=1S/C40H49N5O6/c1-27-24-45(28(2)26-46)38(47)34-23-32(42-39(48)41-31-16-6-5-7-17-31)20-21-36(34)51-29(3)13-10-11-22-50-37(27)25-44(4)40(49)43-35-19-12-15-30-14-8-9-18-33(30)35/h5-9,12,14-21,23,27-29,37,46H,10-11,13,22,24-26H2,1-4H3,(H,43,49)(H2,41,42,48)/t27-,28+,29+,37-/m0/s1
InChIKey	CKAVSIOSJSZLML-MZXQNBQBSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[[(3R,9R,10S)-16-[[anilino(oxo)methyl]amino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea (CHEBI:130647) is a azamacrocycle (CHEBI:52898)
	1-[[(3R,9R,10S)-16-[[anilino(oxo)methyl]amino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea (CHEBI:130647) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-42196	LINCS