Drug Details

Name:

3-amidinophenylalanine deriv., 40

PubChem ID:

11513105

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C33H36N8O6S/c34-30(35)21-5-3-4-19(16-21)17-27(32(45)41-14-10-20(11-15-41)31(44)38-12-13-39-33(36)37)40-48(46,47)22-8-9-25-26(18-22)29(43)24-7-2-1-6-23(24)28(25)42/h1-9,16,18,20,27,40H,10-15,17H2,(H3,34,35)(H,38,44)(H4,36,37,39)/t27-/m0/s1

SMILES:

O=C(C1CCN(CC1)C(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)c1c(C2=O)cccc1)Cc1cccc(c1)C(=N)N)NCCN=C(N)N

Properties:

Formula:	C33H36N8O6S	Atoms:	48
Molecular Weight:	672.754	Rotatable Bonds:	13
H-bond Acceptors:	14	H-bond Donors:	6
logP:	4.265

Targets:

Name	Uniprot ID	Source	References	Interaction
Coagulation factor X	FA10_BOVIN	BindingDB	-	shows
Plasminogen	PLMN_HUMAN	BindingDB	-	shows
Prothrombin	THRB_BOVIN	BindingDB	-	shows
Suppressor of tumorigenicity protein 14	ST14_HUMAN	BindingDB	-	shows

enlarge table

Synonyms:

()-oxazepam hemisuccinate sodium salt

3-amidinophenylalanine deriv., 40

CID 11513105

CID11513105

enlarge table