N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(pentylsulfonyl)benzamide (CHEBI:49951)

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CHEBI:49951 - N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(pentylsulfonyl)benzamide

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ChEBI ID	CHEBI:49951
ChEBI Name	N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(pentylsulfonyl)benzamide
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Last Modified	17 October 2009
Downloads	Molfile

Formula	C31H45N3O5S
Net Charge	0
Average Mass	571.784
Monoisotopic Mass	571.30799
SMILES	[H]O[C@]([H])(C([H])([H])N([H])[C@]([H])(C(=O)N([H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])[H])[C@@]([H])(N([H])C(=O)c1c([H])c([H])c([H])c(S(=O)(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])c1[H])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H]
InChI	InChI=1S/C31H45N3O5S/c1-3-4-11-19-40(38,39)27-18-12-15-25(21-27)31(37)34-28(20-24-13-7-5-8-14-24)29(35)22-32-23(2)30(36)33-26-16-9-6-10-17-26/h5,7-8,12-15,18,21,23,26,28-29,32,35H,3-4,6,9-11,16-17,19-20,22H2,1-2H3,(H,33,36)(H,34,37)/t23-,28-,29+/m0/s1
InChIKey	FBMGVFBNGKNQCB-WTWMYVDVSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(pentylsulfonyl)benzamide (CHEBI:49951) is a unclassifieds (CHEBI:27189)

Synonym	Source
N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(pentylsulfonyl)benzamide	PDBeChem

Manual Xrefs	Databases
VG3	PDBeChem