Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C61H88N18O21S2.H2O4S |
Molecular Weight | 1571.668 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 20 / 20 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.[H][C@]7(O[C@@H]1[C@H](O[C@H]([C@H](NC(=O)C2=NC(=NC(N)=C2C)[C@H](CC(N)=O)NC[C@H](N)C(N)=O)C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC3=NC(=CS3)C4=NC(=CS4)C(=O)NCCCN[C@@H](C)C5=CC=CC=C5)C6=CN=CN6)O[C@@H](CO)[C@@H](O)[C@@H]1O)O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]7O
InChI
InChIKey=ZHHIHQFAUZZMTG-BSVJBJGJSA-N
InChI=1S/C61H88N18O21S2.H2O4S/c1-24-39(76-52(79-50(24)64)31(16-37(63)83)71-17-30(62)51(65)89)56(93)78-41(47(32-18-67-23-72-32)98-60-49(45(87)43(85)35(19-80)97-60)99-59-46(88)48(100-61(66)95)44(86)36(20-81)96-59)57(94)73-27(4)42(84)25(2)53(90)77-40(28(5)82)55(92)70-15-12-38-74-34(22-101-38)58-75-33(21-102-58)54(91)69-14-9-13-68-26(3)29-10-7-6-8-11-29;1-5(2,3)4/h6-8,10-11,18,21-23,25-28,30-31,35-36,40-49,59-60,68,71,80-82,84-88H,9,12-17,19-20,62H2,1-5H3,(H2,63,83)(H2,65,89)(H2,66,95)(H,67,72)(H,69,91)(H,70,92)(H,73,94)(H,77,90)(H,78,93)(H2,64,76,79);(H2,1,2,3,4)/t25-,26-,27+,28+,30-,31-,35-,36+,40-,41-,42-,43+,44+,45-,46-,47-,48-,49-,59+,60-;/m0./s1
Approval Year
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C2311
Created by
admin on Fri Dec 15 15:22:23 UTC 2023 , Edited by admin on Fri Dec 15 15:22:23 UTC 2023
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SUB21700
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100000085037
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C1400
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DTXSID7048613
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m8527
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admin on Fri Dec 15 15:22:23 UTC 2023 , Edited by admin on Fri Dec 15 15:22:23 UTC 2023
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PRIMARY | Merck Index | ||
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CHEMBL2111003
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70384-29-1
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6321297
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6A668951HW
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276382
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274-588-4
Created by
admin on Fri Dec 15 15:22:23 UTC 2023 , Edited by admin on Fri Dec 15 15:22:23 UTC 2023
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PRIMARY |
ACTIVE MOIETY
SUBSTANCE RECORD