Drug Details

Name:

CHEMBL287896

PubChem ID:

9998020

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C17H22N2O4S/c1-11(16(21)19-9-5-8-13(19)17(22)23)18-15(20)14(24)10-12-6-3-2-4-7-12/h2-4,6-7,11,13-14,24H,5,8-10H2,1H3,(H,18,20)(H,22,23)/t11-,13-,14-/m0/s1

SMILES:

O=C([C@H](Cc1ccccc1)S)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C

Properties:

Formula:	C17H22N2O4S	Atoms:	24
Molecular Weight:	350.433	Rotatable Bonds:	8
H-bond Acceptors:	7	H-bond Donors:	3
logP:	1.4366

Targets:

Name	Uniprot ID	Source	References	Interaction
Angiotensin-converting enzyme	ACE_HUMAN	BindingDB	-	shows
Neprilysin	NEP_HUMAN	BindingDB	-	shows
Neprilysin	NEP_RAT	BindingDB	-	shows

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Synonyms:

(2S)-1-[(2S)-2-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]propanoyl]pyrrol

CHEBI:159902

CHEMBL287896

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