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Name:N-ALPHA-(2-NAPHTHYLSULFONYL)-N(3-AMIDINO-L-PHENYLALANINYL)ISOPIPECOLINIC ACID METHYL ESTER
PubChem ID:446605
Pathway:Show KEGG pathways
InChI:InChI=1/C27H30N4O5S/c1-36-27(33)20-11-13-31(14-12-20)26(32)24(16-18-5-4-8-22(15-18)25(28)29)30-37(34,35)23-10-9-19-6-2-3-7-21(19)17-23/h2-10,15,17,20,24,30H,11-14,16H2,1H3,(H3,28,29)/t24-/m0/s1/f/h28H,29H2/b28-25-
SMILES:COC(C1CCN(CC1)C([C@@H](Cc1cccc(c1)/C(=N\[H])N)NS(c1ccc2ccccc2c1)(=O)=O)=O)=O

Properties:
Formula:C27H30N4O5SAtoms:39
Molecular Weight:522.616Rotatable Bonds:10
H-bond Acceptors:8H-bond Donors:1
logP:4.6347
Targets:
NameUniprot IDSourceReferencesInteraction
Cationic trypsinTRY1_BOVINDrugBank-shows
Synonyms:
1k1j
AC1L9JVK
CHEBI:42576
CHEMBL343892
CID446605
DB01745
FD2
methyl
N-ALPHA-(2-NAPHTHYLSULFONYL)-N(3-AMIDINO-L-PHENYLALANINYL)ISOPIPECOLINIC ACID METHYL ESTER