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Drug Details

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Name:CHEMBL439435
PubChem ID:44328073
Pathway:Show KEGG pathways
InChI:InChI=1S/C52H67N7O12/c1-7-30(5)44(49(67)56-39(52(70)71)26-34-28-53-36-22-16-15-21-35(34)36)59-50(68)45(31(6)8-2)58-48(66)38(27-42(63)64)54-47(65)37(25-29(3)4)55-51(69)46(57-40(60)23-24-41(61)62)43(32-17-11-9-12-18-32)33-19-13-10-14-20-33/h9-22,28-31,37-39,43-46,53H,7-8,23-27H2,1-6H3,(H,54,65)(H,55,69)(H,56,67)(H,57,60)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,70,71)/t30-,31-,37-,38-,39-,44-,45-,46-/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)NC(=O)CCC(=O)O)CC(C)C)CC(=O)O)C

Properties:
Formula:C52H67N7O12Atoms:71
Molecular Weight:982.128Rotatable Bonds:34
H-bond Acceptors:18H-bond Donors:10
logP:6.3591
Targets:
Synonyms:
CHEBI:255998
CHEMBL439435