N-[[(3S,9R,10R)-16-[[anilino(oxo)methyl]amino]-12-[(2S)-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]-N-methylcarbamic acid 2-methoxyethyl ester (CHEBI:92112)

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CHEBI:92112 - N-[[(3S,9R,10R)-16-[[anilino(oxo)methyl]amino]-12-[(2S)-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]-N-methylcarbamic acid 2-methoxyethyl ester

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ChEBI ID	CHEBI:92112
ChEBI Name	N-[[(3S,9R,10R)-16-[[anilino(oxo)methyl]amino]-12-[(2S)-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]-N-methylcarbamic acid 2-methoxyethyl ester
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C33H48N4O8
Net Charge	0
Average Mass	628.767
Monoisotopic Mass	628.34721
SMILES	COCCOC(=O)N(C)C[C@@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C
InChI	InChI=1S/C33H48N4O8/c1-23-20-37(24(2)22-38)31(39)28-19-27(35-32(40)34-26-12-7-6-8-13-26)14-15-29(28)45-25(3)11-9-10-16-43-30(23)21-36(4)33(41)44-18-17-42-5/h6-8,12-15,19,23-25,30,38H,9-11,16-18,20-22H2,1-5H3,(H2,34,35,40)/t23-,24+,25+,30+/m1/s1
InChIKey	MCHAAKXTOWCWGS-DUXAABNJSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(3S,9R,10R)-16-[[anilino(oxo)methyl]amino]-12-[(2S)-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]-N-methylcarbamic acid 2-methoxyethyl ester (CHEBI:92112) is a azamacrocycle (CHEBI:52898)
	N-[[(3S,9R,10R)-16-[[anilino(oxo)methyl]amino]-12-[(2S)-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]-N-methylcarbamic acid 2-methoxyethyl ester (CHEBI:92112) is a lactam (CHEBI:24995)

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