N'-(2-aminophenyl)-N-[(3S,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-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-16-yl]heptanediamide (CHEBI:128417)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:128417 - N'-(2-aminophenyl)-N-[(3S,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-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-16-yl]heptanediamide

Take structure to advanced search

ChEBI ID	CHEBI:128417
ChEBI Name	N'-(2-aminophenyl)-N-[(3S,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-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-16-yl]heptanediamide
Stars
Last Modified	3 March 2016
Downloads	Molfile

Formula	C39H59N5O6
Net Charge	0
Average Mass	693.930
Monoisotopic Mass	693.44653
SMILES	C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)CC2CC2)OCCCC[C@H](C)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2C1=O
InChI	InChI=1S/C39H59N5O6/c1-27-23-44(28(2)26-45)39(48)32-22-31(41-37(46)15-6-5-7-16-38(47)42-34-14-9-8-13-33(34)40)19-20-35(32)50-29(3)12-10-11-21-49-36(27)25-43(4)24-30-17-18-30/h8-9,13-14,19-20,22,27-30,36,45H,5-7,10-12,15-18,21,23-26,40H2,1-4H3,(H,41,46)(H,42,47)/t27-,28+,29-,36+/m0/s1
InChIKey	ADJDVYRFZUMSGA-FITXIZCHSA-N

ChEBI Ontology

Outgoing Relation(s)
	N'-(2-aminophenyl)-N-[(3S,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-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-16-yl]heptanediamide (CHEBI:128417) is a azamacrocycle (CHEBI:52898)
	N'-(2-aminophenyl)-N-[(3S,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-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-16-yl]heptanediamide (CHEBI:128417) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-39972	LINCS