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Drug Details

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Name:CHEMBL269428
PubChem ID:44327867
Pathway:Show KEGG pathways
InChI:InChI=1S/C54H67N7O9/c1-7-33(5)45(50(66)59-43(53(69)70)29-35-31-56-40-27-19-18-26-39(35)40)61-51(67)46(34(6)8-2)60-49(65)42(30-44(62)63)57-48(64)41(28-32(3)4)58-52(68)47(55)54(36-20-12-9-13-21-36,37-22-14-10-15-23-37)38-24-16-11-17-25-38/h9-27,31-34,41-43,45-47,56H,7-8,28-30,55H2,1-6H3,(H,57,64)(H,58,68)(H,59,66)(H,60,65)(H,61,67)(H,62,63)(H,69,70)/t33-,34-,41-,42-,43-,45-,46-,47+/m0/s1
SMILES:CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)[C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(c1ccccc1)(c1ccccc1)c1ccccc1)N)CC(C)C)CC(=O)O)C

Properties:
Formula:C54H67N7O9Atoms:70
Molecular Weight:958.151Rotatable Bonds:30
H-bond Acceptors:15H-bond Donors:9
logP:7.8487
Targets:
Synonyms:
CHEBI:255609
CHEMBL269428