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dolastatin 10

PropertiesImageOccurences in reactions
MNX_IDMNXM104679Image of MNXM104679
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC42H68N6O6S
charge0
mass784.4921
referencechebi:67357
InChIKeyOFDNQWIFNXBECV-VFSYNPLYSA-N
InChIInChI=1S/C42H68N6O6S/c1-13-28(6)37(47(10)42(52)35(26(2)3)45-40(51)36(27(4)5)46(8)9)33(53-11)25-34(49)48-22-17-20-32(48)38(54-12)29(7)39(50)44-31(41-43-21-23-55-41)24-30-18-15-14-16-19-30/h14-16,18-19,21,23,26-29,31-33,35-38H,13,17,20,22,24-25H2,1-12H3,(H,44,50)(H,45,51)/t28-,29+,31-,32-,33+,35-,36-,37-,38+/m0/s1
SMILESCC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)c1nccs1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:67357
chebi:67357 		dolastatin 10
DLS-10
N,N-dimethyl-L-valyl-N-[(3R,4S,5S)-3-methoxy-1-{(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-{[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino}propyl]pyrrolidin-1-yl}-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide
dolastatin-10
seed.compound:cpd08141
seedM:cpd08141
kegg.compound:C11280
keggC:C11280 		Dolastatin 10
chebi:4684
keggC:M_C11280
seedM:M_cpd08141 		secondary/obsolete/fantasy identifier