N-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-1,3-benzothiazole-2-carboxamide (CHEBI:125925)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:125925 - N-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-1,3-benzothiazole-2-carboxamide

Take structure to advanced search

ChEBI ID	CHEBI:125925
ChEBI Name	N-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-1,3-benzothiazole-2-carboxamide
Stars
Downloads	Molfile

Formula	C31H32Cl2N4O4S
Net Charge	0
Average Mass	627.594
Monoisotopic Mass	626.15213
SMILES	C[C@@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)c3nc4ccccc4s3)c2O[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1
InChI	InChI=1S/C31H32Cl2N4O4S/c1-18-14-37(19(2)17-38)31(40)21-7-6-9-25(34-29(39)30-35-24-8-4-5-10-27(24)42-30)28(21)41-26(18)16-36(3)15-20-11-12-22(32)23(33)13-20/h4-13,18-19,26,38H,14-17H2,1-3H3,(H,34,39)/t18-,19+,26-/m1/s1
InChIKey	HIQVTQYFSNAZIX-UYXZNNOOSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-1,3-benzothiazole-2-carboxamide (CHEBI:125925) is a benzothiazoles (CHEBI:37947)

Manual Xrefs	Databases
LSM-37492	LINCS