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

Drug Details

add
Name:CHEMBL318020
PubChem ID:44328091
Pathway:Show KEGG pathways
InChI:InChI=1S/C49H61N7O12/c1-6-28(4)42(47(65)55-38(49(67)68)24-32-26-50-34-20-14-13-19-33(32)34)56-44(62)35(21-22-39(58)59)52-46(64)37(25-40(60)61)53-45(63)36(23-27(2)3)54-48(66)43(51-29(5)57)41(30-15-9-7-10-16-30)31-17-11-8-12-18-31/h7-20,26-28,35-38,41-43,50H,6,21-25H2,1-5H3,(H,51,57)(H,52,64)(H,53,63)(H,54,66)(H,55,65)(H,56,62)(H,58,59)(H,60,61)(H,67,68)/t28-,35-,36-,37-,38-,42-,43-/m0/s1
SMILES:CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(c1ccccc1)c1ccccc1)NC(=O)C)CC(C)C)CC(=O)O)CCC(=O)O)C

Properties:
Formula:C49H61N7O12Atoms:68
Molecular Weight:940.048Rotatable Bonds:32
H-bond Acceptors:18H-bond Donors:10
logP:5.3329
Targets:
Synonyms:
CHEBI:256021
CHEMBL318020