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Drug Details

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Name:CHEMBL555956
PubChem ID:42637210
Pathway:Show KEGG pathways
InChI:InChI=1S/C51H59N9O8S2/c1-30(2)54-27-34-15-13-32(14-16-34)24-41-47(64)56-40(25-33-17-21-38(61)22-18-33)48(65)58-43(44(53)62)29-70-69-28-39(52)46(63)55-42(23-31-9-5-4-6-10-31)49(66)59-45(50(67)57-41)60(3)51(68)37-20-19-35-11-7-8-12-36(35)26-37/h4-22,26,30,39-43,45,54,61H,23-25,27-29,52H2,1-3H3,(H2,53,62)(H,55,63)(H,56,64)(H,57,67)(H,58,65)(H,59,66)/t39-,40-,41-,42-,43-,45-/m0/s1
SMILES:CC(NCc1ccc(cc1)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@@H](NC1=O)Cc1ccc(cc1)O)C(=O)N)N(C(=O)c1ccc2c(c1)cccc2)C)C

Properties:
Formula:C51H59N9O8S2Atoms:70
Molecular Weight:990.2Rotatable Bonds:13
H-bond Acceptors:19H-bond Donors:9
logP:5.8681
Targets:
Synonyms:
CHEBI:659938
CHEMBL555956