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Drug Details

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Name:CHEBI:337598
PubChem ID:44361967
Pathway:Show KEGG pathways
InChI:InChI=1S/C49H64N10O11S2/c1-27(60)40-48(68)57-39(47(67)59-41(28(2)61)49(69)70)26-72-71-25-38(56-42(62)33(51)21-29-13-5-3-6-14-29)46(66)54-36(22-30-15-7-4-8-16-30)44(64)55-37(23-31-24-52-34-18-10-9-17-32(31)34)45(65)53-35(43(63)58-40)19-11-12-20-50/h3-10,13-18,24,27-28,33,35-41,52,60-61H,11-12,19-23,25-26,50-51H2,1-2H3,(H,53,65)(H,54,66)(H,55,64)(H,56,62)(H,57,68)(H,58,63)(H,59,67)(H,69,70)/t27?,28?,33-,35?,36-,37+,38-,39?,40?,41?/m0/s1
SMILES:NCCCCC1NC(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSCC(NC(=O)C(NC1=O)C(O)C)C(=O)NC(C(=O)O)C(O)C)NC(=O)[C@H](Cc1ccccc1)N)Cc1c[nH]c2c1cccc2

Properties:
Formula:C49H64N10O11S2Atoms:72
Molecular Weight:1033.22Rotatable Bonds:19
H-bond Acceptors:22H-bond Donors:13
logP:3.1133
Targets:
NameUniprot IDSourceReferencesInteraction
Somatostatin receptor type 2SSR2_HUMANBindingDB-shows
Synonyms:
CHEBI:337598