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Drug Details

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Name:CHEMBL267322
PubChem ID:44312102
Pathway:Show KEGG pathways
InChI:InChI=1S/C47H71N11O12S2/c1-3-27(2)39-46(68)56-34(22-29-15-17-30(60)18-16-29)41(63)51-23-38(61)52-36(24-59)44(66)55-35(21-28-11-5-4-6-12-28)43(65)57-37(26-72-71-25-31(50)40(62)58-39)45(67)53-32(13-7-9-19-48)42(64)54-33(47(69)70)14-8-10-20-49/h4-6,11-12,15-18,27,31-37,39,59-60H,3,7-10,13-14,19-26,48-50H2,1-2H3,(H,51,63)(H,52,61)(H,53,67)(H,54,64)(H,55,66)(H,56,68)(H,57,65)(H,58,62)(H,69,70)/t27-,31+,32-,33-,34-,35+,36-,37+,39?/m0/s1
SMILES:NCCCC[C@@H](C(=O)N[C@H](C(=O)O)CCCCN)NC(=O)[C@H]1CSSC[C@@H](N)C(=O)N[C@H]([C@H](CC)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)Cc1ccccc1)CO)Cc1ccc(cc1)O

Properties:
Formula:C47H71N11O12S2Atoms:72
Molecular Weight:1046.26Rotatable Bonds:22
H-bond Acceptors:25H-bond Donors:14
logP:2.646
Targets:
Synonyms:
CHEBI:215540
CHEMBL267322