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Drug Details

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Name:molassamide
PubChem ID:45379965
Pathway:-
InChI:InChI=1S/C48H66N8O13/c1-9-14-36(59)49-26(5)41(61)53-39(27(6)57)44(64)54-40-28(7)69-48(68)38(25(3)4)52-43(63)34(23-30-17-19-31(58)20-18-30)55(8)47(67)35(24-29-15-12-11-13-16-29)56-37(60)22-21-33(46(56)66)51-42(62)32(10-2)50-45(40)65/h10-13,15-20,25-28,33-35,37-40,57-58,60H,9,14,21-24H2,1-8H3,(H,49,59)(H,50,65)(H,51,62)(H,52,63)(H,53,61)(H,54,64)/b32-10-/t26-,27+,28+,33?,34-,35-,37+,38-,39-,40-/m0/s1
SMILES:CCCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]1[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(cc2)O)N(C)C(=O)[C@@H](N2C(=O)[C@@H](NC(=O)/C(=C/C)/NC1=O)CC[C@H]2O)Cc1ccccc1)C(C)C)[C@H](O)C)C

Properties:
Formula:C48H66N8O13Atoms:69
Molecular Weight:963.083Rotatable Bonds:16
H-bond Acceptors:21H-bond Donors:9
logP:1.5948
Targets:
Synonyms:
CHEBI:714748
CHEMBL1077010
molassamide