2-[(2S,4aS,12aR)-5-methyl-8-[(3-methylphenyl)carbamoylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-chlorophenyl)methyl]acetamide (CHEBI:97573)

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CHEBI:97573 - 2-[(2S,4aS,12aR)-5-methyl-8-[(3-methylphenyl)carbamoylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-chlorophenyl)methyl]acetamide

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ChEBI ID	CHEBI:97573
ChEBI Name	2-[(2S,4aS,12aR)-5-methyl-8-[(3-methylphenyl)carbamoylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-chlorophenyl)methyl]acetamide
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Downloads	Molfile

Formula	C31H33ClN4O5
Net Charge	0
Average Mass	577.081
Monoisotopic Mass	576.21395
SMILES	Cc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@@H](CC(=O)NCc4ccccc4Cl)O[C@H]2CO3)c1
InChI	InChI=1S/C31H33ClN4O5/c1-19-6-5-8-21(14-19)34-31(39)35-22-10-13-27-24(15-22)30(38)36(2)26-12-11-23(41-28(26)18-40-27)16-29(37)33-17-20-7-3-4-9-25(20)32/h3-10,13-15,23,26,28H,11-12,16-18H2,1-2H3,(H,33,37)(H2,34,35,39)/t23-,26-,28-/m0/s1
InChIKey	SECMWWJMRQEFAV-WSHBGFIESA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(2S,4aS,12aR)-5-methyl-8-[(3-methylphenyl)carbamoylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-chlorophenyl)methyl]acetamide (CHEBI:97573) is a ureas (CHEBI:47857)

Manual Xrefs	Databases
LSM-8952	LINCS