N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide (CHEBI:124708)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:124708 - N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide

Take structure to advanced search

ChEBI ID	CHEBI:124708
ChEBI Name	N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide
Stars
Downloads	Molfile

Formula	C33H38N6O5
Net Charge	0
Average Mass	598.704
Monoisotopic Mass	598.29037
SMILES	Cc1cc(C(=O)Nc2cccc3c2O[C@@H](CN(C)C(=O)Nc2cccc4ccccc24)[C@H](C)CN([C@H](C)CO)C3=O)n(C)n1
InChI	InChI=1S/C33H38N6O5/c1-20-17-39(22(3)19-40)32(42)25-13-9-15-27(34-31(41)28-16-21(2)36-38(28)5)30(25)44-29(20)18-37(4)33(43)35-26-14-8-11-23-10-6-7-12-24(23)26/h6-16,20,22,29,40H,17-19H2,1-5H3,(H,34,41)(H,35,43)/t20-,22-,29+/m1/s1
InChIKey	MSKWZOLQXMALEK-GLUMPRPGSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide (CHEBI:124708) is a naphthalenes (CHEBI:25477)

Manual Xrefs	Databases
LSM-36150	LINCS