N'-(2-aminophenyl)-N-[(2S,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide (CHEBI:129366)

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CHEBI:129366 - N'-(2-aminophenyl)-N-[(2S,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide

Default Structure

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ChEBI ID	CHEBI:129366
ChEBI Name	N'-(2-aminophenyl)-N-[(2S,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide
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Formula	C37H54N6O6
Net Charge	0
Average Mass	678.875
Monoisotopic Mass	678.41048
SMILES	C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)NC2CCCCC2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O
InChI	InChI=1S/C37H54N6O6/c1-25-22-43(26(2)24-44)36(47)21-27-20-29(39-34(45)16-8-5-9-17-35(46)41-31-15-11-10-14-30(31)38)18-19-32(27)49-33(25)23-42(3)37(48)40-28-12-6-4-7-13-28/h10-11,14-15,18-20,25-26,28,33,44H,4-9,12-13,16-17,21-24,38H2,1-3H3,(H,39,45)(H,40,48)(H,41,46)/t25-,26+,33+/m0/s1
InChIKey	LJSSNWIMXFQQLO-RLYJWURVSA-N

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	N'-(2-aminophenyl)-N-[(2S,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide (CHEBI:129366) is a aromatic amide (CHEBI:62733)
	N'-(2-aminophenyl)-N-[(2S,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide (CHEBI:129366) is a aromatic amine (CHEBI:33860)

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