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Drug Details

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Name:CHEMBL425090
PubChem ID:44368157
Pathway:Show KEGG pathways
InChI:InChI=1S/C54H66N10O10S2/c1-32(65)46-53(72)62-43(27-35-19-9-4-10-20-35)51(70)63-45(54(73)74)31-76-75-30-38(56)47(66)59-41(25-33-15-5-2-6-16-33)49(68)60-42(26-34-17-7-3-8-18-34)50(69)61-44(28-36-29-57-39-22-12-11-21-37(36)39)52(71)58-40(48(67)64-46)23-13-14-24-55/h2-12,15-22,29,32,38,40-46,57,65H,13-14,23-28,30-31,55-56H2,1H3,(H,58,71)(H,59,66)(H,60,68)(H,61,69)(H,62,72)(H,63,70)(H,64,67)(H,73,74)/t32-,38-,40-,41-,42-,43-,44-,45-,46?/m1/s1
SMILES:NCCCC[C@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)[C@H](O)C)Cc1ccccc1)C(=O)O)Cc1c[nH]c2c1cccc2

Properties:
Formula:C54H66N10O10S2Atoms:76
Molecular Weight:1079.29Rotatable Bonds:14
H-bond Acceptors:21H-bond Donors:12
logP:4.851
Targets:
Synonyms:
CHEBI:354147
CHEMBL425090