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Drug Details

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Name:CHEMBL439461
PubChem ID:44280540
Pathway:Show KEGG pathways
InChI:InChI=1S/C50H67N11O10S2/c1-28(62)41(43(53)64)60-48(69)40-27-73-72-26-39(58-44(65)34(52)22-30-14-6-4-7-15-30)47(68)56-37(23-31-16-8-5-9-17-31)45(66)57-38(24-32-25-54-35-19-11-10-18-33(32)35)46(67)55-36(20-12-13-21-51)50(71)61(3)42(29(2)63)49(70)59-40/h4-11,14-19,25,28-29,34,36-42,54,62-63H,12-13,20-24,26-27,51-52H2,1-3H3,(H2,53,64)(H,55,67)(H,56,68)(H,57,66)(H,58,65)(H,59,70)(H,60,69)/t28-,29-,34-,36+,37+,38+,39-,40+,41+,42?/m1/s1
SMILES:NCCCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@@H](N(C1=O)C)[C@H](O)C)C(=O)N[C@H](C(=O)N)[C@H](O)C)NC(=O)[C@@H](Cc1ccccc1)N)Cc1c[nH]c2c1cccc2

Properties:
Formula:C50H67N11O10S2Atoms:73
Molecular Weight:1046.26Rotatable Bonds:19
H-bond Acceptors:22H-bond Donors:12
logP:3.1656
Targets:
Synonyms:
CHEBI:144929
CHEMBL439461