Home
Drugs
Targets
Pathways
Ontologies
Cyp450s
Adv.search
Help/FAQ

Drug Details

add
Name:CHEMBL438285
PubChem ID:44388051
Pathway:Show KEGG pathways
InChI:InChI=1S/C50H59N9O8S2/c51-23-13-12-22-38-45(61)56-41(26-33-18-8-3-9-19-33)48(64)59-43(50(66)67)30-69-68-29-36(52)44(60)55-39(24-31-14-4-1-5-15-31)46(62)57-40(25-32-16-6-2-7-17-32)47(63)58-42(49(65)54-38)27-34-28-53-37-21-11-10-20-35(34)37/h1-11,14-21,28,36,38-43,53H,12-13,22-27,29-30,51-52H2,(H,54,65)(H,55,60)(H,56,61)(H,57,62)(H,58,63)(H,59,64)(H,66,67)/t36-,38+,39-,40+,41+,42+,43+/m1/s1
SMILES:NCCCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@@H](NC1=O)Cc1ccccc1)C(=O)O)N)Cc1c[nH]c2c1cccc2

Properties:
Formula:C50H59N9O8S2Atoms:69
Molecular Weight:978.189Rotatable Bonds:13
H-bond Acceptors:18H-bond Donors:10
logP:5.6566
Targets:
Synonyms:
CHEBI:397838
CHEMBL438285