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Drug Details

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Name:CHEMBL96822
PubChem ID:44327628
Pathway:Show KEGG pathways
InChI:InChI=1S/C49H65N7O11S/c1-8-29(5)41(46(61)53-38(49(64)65)25-33-27-50-35-23-17-16-22-34(33)35)55-47(62)42(30(6)9-2)54-45(60)37(26-39(57)58)51-44(59)36(24-28(3)4)52-48(63)43(56-68(7,66)67)40(31-18-12-10-13-19-31)32-20-14-11-15-21-32/h10-23,27-30,36-38,40-43,50,56H,8-9,24-26H2,1-7H3,(H,51,59)(H,52,63)(H,53,61)(H,54,60)(H,55,62)(H,57,58)(H,64,65)/t29-,30-,36-,37-,38-,41-,42-,43-/m0/s1
SMILES:CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)[C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(c1ccccc1)c1ccccc1)NS(=O)(=O)C)CC(C)C)CC(=O)O)C

Properties:
Formula:C49H65N7O11SAtoms:68
Molecular Weight:960.146Rotatable Bonds:31
H-bond Acceptors:17H-bond Donors:9
logP:7.0081
Targets:
Synonyms:
CHEBI:255107
CHEMBL96822