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Drug Details

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Name:CHEMBL408164
PubChem ID:44270264
Pathway:Show KEGG pathways
InChI:InChI=1S/C54H70N10O8S2/c1-31(2)46-53(72)62-45(52(71)64-54(3,4)5)30-74-73-29-44(61-47(66)39(56)25-33-17-20-34-12-6-7-13-35(34)24-33)51(70)59-42(26-32-18-21-37(65)22-19-32)49(68)60-43(27-36-28-57-40-15-9-8-14-38(36)40)50(69)58-41(48(67)63-46)16-10-11-23-55/h6-9,12-15,17-22,24,28,31,39,41-46,57,65H,10-11,16,23,25-27,29-30,55-56H2,1-5H3,(H,58,69)(H,59,70)(H,60,68)(H,61,66)(H,62,72)(H,63,67)(H,64,71)/t39-,41+,42+,43-,44+,45-,46-/m0/s1
SMILES:NCCCC[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccc(cc2)O)NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@@H](NC1=O)C(C)C)C(=O)NC(C)(C)C)NC(=O)[C@H](Cc1ccc2c(c1)cccc2)N)Cc1c[nH]c2c1cccc2

Properties:
Formula:C54H70N10O8S2Atoms:74
Molecular Weight:1051.33Rotatable Bonds:17
H-bond Acceptors:19H-bond Donors:11
logP:7.2118
Targets:
Synonyms:
CHEBI:116069
CHEMBL408164