Drug Details

Name:

CHEMBL349594

PubChem ID:

44376688

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C29H28N2O6S/c32-27(26(38)21-12-13-24-25(16-21)37-17-36-24)30-22(28(33)31-14-4-7-23(31)29(34)35)15-18-8-10-20(11-9-18)19-5-2-1-3-6-19/h1-3,5-6,8-13,16,22-23,26,38H,4,7,14-15,17H2,(H,30,32)(H,34,35)/t22-,23-,26-/m0/s1

SMILES:

O=C([C@H](c1ccc2c(c1)OCO2)S)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)Cc1ccc(cc1)c1ccccc1

Properties:

Formula:	C29H28N2O6S	Atoms:	38
Molecular Weight:	532.607	Rotatable Bonds:	10
H-bond Acceptors:	9	H-bond Donors:	3
logP:	4.1851

Targets:

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

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Synonyms:

CHEBI:371688

CHEMBL349594

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