N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide (CHEBI:124105)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:124105 - N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide

Take structure to advanced search

ChEBI ID	CHEBI:124105
ChEBI Name	N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
Stars
Downloads	Molfile

Formula	C33H35N5O5
Net Charge	0
Average Mass	581.673
Monoisotopic Mass	581.26382
SMILES	C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O[C@@H]1CN(C)C(=O)Nc1cccc2ccccc12
InChI	InChI=1S/C33H35N5O5/c1-21-18-38(22(2)20-39)32(41)27-17-25(35-31(40)24-13-15-34-16-14-24)11-12-29(27)43-30(21)19-37(3)33(42)36-28-10-6-8-23-7-4-5-9-26(23)28/h4-17,21-22,30,39H,18-20H2,1-3H3,(H,35,40)(H,36,42)/t21-,22-,30+/m0/s1
InChIKey	PCVHUBWUVWXETH-MWXNICTNSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide (CHEBI:124105) is a naphthalenes (CHEBI:25477)

Manual Xrefs	Databases
LSM-35547	LINCS