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110417-88-4
DOLASTATIN 10
Name
DOLASTATIN 10
Formula
C42 H68 N6 O6 S
MolWeight
785.101
1Identification
【Name】
DOLASTATIN 10
【CAS】
【MDL】
MFCD00870128
【English Synonyms】
【Formula】
C42 H68 N6 O6 S
【MolWeight】
785.101
【Inchi】
InChI=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
【InChIKey】
InChIKey=OFDNQWIFNXBECV-VFSYNPLYSA-N
【SMILES】
CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](Cc2ccccc2)c3nccs3)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:12
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
DOLASTATIN 10.cml
Quick Release
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