N-[[(3S,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]-4-(dimethylamino)-N-methylbutanamide (CHEBI:130471)

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CHEBI:130471 - N-[[(3S,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]-4-(dimethylamino)-N-methylbutanamide

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ChEBI ID	CHEBI:130471
ChEBI Name	N-[[(3S,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]-4-(dimethylamino)-N-methylbutanamide
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C35H53N5O6
Net Charge	0
Average Mass	639.838
Monoisotopic Mass	639.39958
SMILES	C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)CCCN(C)C)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O
InChI	InChI=1S/C35H53N5O6/c1-25-22-40(26(2)24-41)34(43)30-21-29(37-35(44)36-28-14-8-7-9-15-28)17-18-31(30)46-27(3)13-10-11-20-45-32(25)23-39(6)33(42)16-12-19-38(4)5/h7-9,14-15,17-18,21,25-27,32,41H,10-13,16,19-20,22-24H2,1-6H3,(H2,36,37,44)/t25-,26+,27-,32-/m0/s1
InChIKey	AOPAHPGUEAEYMA-XTQYNZLPSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(3S,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]-4-(dimethylamino)-N-methylbutanamide (CHEBI:130471) is a azamacrocycle (CHEBI:52898)
	N-[[(3S,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]-4-(dimethylamino)-N-methylbutanamide (CHEBI:130471) is a lactam (CHEBI:24995)

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