N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE (CHEBI:40198)

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CHEBI:40198 - N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE

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ChEBI ID	CHEBI:40198
ChEBI Name	N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE
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Last Modified	17 October 2009
Downloads	Molfile

Formula	C31H38N4O5S
Net Charge	0
Average Mass	578.735
Monoisotopic Mass	578.25629
SMILES	[H]O[C@]([H])(C([H])([H])N([H])C1([H])C([H])([H])C1([H])[H])[C@@]([H])(N([H])C(=O)c1c([H])c(C(=O)N([H])[C@@]([H])(c2c([H])c([H])c([H])c([H])c2[H])C([H])([H])[H])c([H])c(N(C([H])([H])[H])S(=O)(=O)C([H])([H])[H])c1[H])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H]
InChI	InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1
InChIKey	VPNIQGRFZCTBEZ-SPTGULJVSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE (CHEBI:40198) is a unclassifieds (CHEBI:27189)

Synonyms	Source
N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide	PDBeChem
N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE	PDBeChem

Manual Xrefs	Databases
5HA	PDBeChem