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Name:CYCLOTHEONAMIDE A
PubChem ID:5287991
Pathway:Show KEGG pathways
InChI:InChI=1/C36H45N9O8/c37-36(38)39-16-4-8-26-31(49)34(52)44-27(19-22-6-2-1-3-7-22)32(50)42-24(18-23-10-13-25(47)14-11-23)12-15-30(48)40-20-28(41-21-46)35(53)45-17-5-9-29(45)33(51)43-26/h1-3,6-7,10-15,21,24,26-29,47H,4-5,8-9,16-20H2,(H,40,48)(H,41,46)(H,42,50)(H,43,51)(H,44,52)(H4,37,38,39)/b15-12+/t24-,26+,27-,28+,29+/m1/s1/f/h40-44H,37-38H2
SMILES:c1ccc(cc1)C[C@H]1C(N[C@H](C(/[H])=C(\[H])C(NC[C@@H](C(N2CCC[C@H]2C(N[C@H](CCCN=C(N)N)C(C(N1)=O)=O)=O)=O)NC=O)=O)(Cc1ccc(cc1)O))=O

Properties:
Formula:C36H45N9O8Atoms:60
Molecular Weight:731.798Rotatable Bonds:10
H-bond Acceptors:16H-bond Donors:0
logP:1.7266
Targets:
Synonyms:
AC1NRAN2
CHEBI:329062
CHEBI:41664
CHEMBL342672
CID5287991
CTA
CYCLOTHEONAMIDE A
N-[(3S,7E,9S,12R,16S,19S)-12-benzyl-16-[3-(diaminomethylideneamino)propyl]