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Drug Details

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Name:CHEMBL1172449
PubChem ID:49798729
Pathway:Show KEGG pathways
InChI:InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)/t29-,33+,34+,35?,36+,37+,39-,41+,42+/m1/s1
SMILES:CCCCCC(=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@@H](NC1=O)CCC[NH+]=C(N)N)CC[C@H]2O)Cc1ccccc1)C(C)C)CCC(=O)[O-]

Properties:
Formula:C50H72N10O13Atoms:73
Molecular Weight:1021.17Rotatable Bonds:21
H-bond Acceptors:22H-bond Donors:10
logP:-0.3717
Targets:
Synonyms:
CHEBI:749166
CHEMBL1172449