Drug Details

Name:

CHEMBL431429

PubChem ID:

44331172

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C28H41N7O5/c29-28(30)32-17-9-13-20-24(37)26(39)31-16-8-3-1-2-7-15-22(36)34-23(19-11-5-4-6-12-19)27(40)35-18-10-14-21(35)25(38)33-20/h4-6,11-12,20-21,23H,1-3,7-10,13-18H2,(H,31,39)(H,33,38)(H,34,36)(H4,29,30,32)/t20-,21?,23+/m1/s1

SMILES:

NC(=NCCC[C@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)CCCCCCCNC(=O)C1=O)c1ccccc1)N

Properties:

Formula:	C28H41N7O5	Atoms:	40
Molecular Weight:	555.669	Rotatable Bonds:	5
H-bond Acceptors:	12	H-bond Donors:	5
logP:	2.7377

Targets:

Name	Uniprot ID	Source	References	Interaction
Cationic trypsin	TRY1_BOVIN	BindingDB	-	shows
Prothrombin	THRB_HUMAN	BindingDB	-	shows

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Synonyms:

CHEBI:263501

CHEMBL431429

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