Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C106H153N27O28S4 |
Molecular Weight | 2381.7816 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 20 / 20 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)C[C@@]([H])(C(=O)O)N=C([C@]([H])(Cc1ccc(cc1)O)N=C([C@]2([H])CCCN2C(=O)[C@]([H])(C)N=C([C@]([H])(CC(=N)O)N=C([C@]3([H])CCCN3C(=O)[C@]([H])(Cc4ccccc4)N=C([C@]([H])(CCSC)N=C([C@]([H])(CCCNC(=N)N)N=C([C@]([H])(CSSC[C@@]([H])(C(=N[C@@]([H])(Cc5ccc(cc5)O)C(=N[C@@]([H])([C@@]([H])(C)O)C(=N[C@@]([H])(Cc6c[nH]c7ccccc67)C(=N[C@@]([H])(CC(=N)O)C(=N[C@@]([H])(CCC(=N)O)C(=N[C@@]([H])(CCSC)C(=N[C@@]([H])(CC(=N)O)C(=N[C@@]([H])(CC(C)C)C(=O)O)O)O)O)O)O)O)O)O)N)N)O)O)O)O)O)O)O
InChI
InChIKey=CTSKMDHGVDBLCZ-ZKXJBQDUSA-N
InChI=1S/C106H153N27O28S4/c1-53(2)41-78(104(158)159)129-94(148)71(43-58-24-28-61(135)29-25-58)125-99(153)80-22-15-37-132(80)102(156)55(5)117-93(147)74(47-83(110)138)126-100(154)81-23-16-38-133(81)103(157)77(45-57-17-10-9-11-18-57)128-92(146)70(35-40-163-8)120-89(143)67(21-14-36-115-106(113)114)118-87(141)64(107)51-164-165-52-65(108)88(142)122-72(44-59-26-30-62(136)31-27-59)98(152)131-86(56(6)134)101(155)127-73(46-60-50-116-66-20-13-12-19-63(60)66)95(149)124-75(48-84(111)139)96(150)119-68(32-33-82(109)137)90(144)121-69(34-39-162-7)91(145)123-76(49-85(112)140)97(151)130-79(105(160)161)42-54(3)4/h9-13,17-20,24-31,50,53-56,64-65,67-81,86,116,134-136H,14-16,21-23,32-49,51-52,107-108H2,1-8H3,(H2,109,137)(H2,110,138)(H2,111,139)(H2,112,140)(H,117,147)(H,118,141)(H,119,150)(H,120,143)(H,121,144)(H,122,142)(H,123,145)(H,124,149)(H,125,153)(H,126,154)(H,127,155)(H,128,146)(H,129,148)(H,130,151)(H,131,152)(H,158,159)(H,160,161)(H4,113,114,115)/t55-,56+,64-,65-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,86-/m0/s1
Molecular Formula | C106H153N27O28S4 |
Molecular Weight | 2381.7816 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 20 / 20 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Jun 26 14:44:07 UTC 2021
by
admin
on
Sat Jun 26 14:44:07 UTC 2021
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Record UNII |
38184303XR
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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FDA ORPHAN DRUG |
571516
Created by
admin on Sat Jun 26 14:44:07 UTC 2021 , Edited by admin on Sat Jun 26 14:44:07 UTC 2021
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FDA ORPHAN DRUG |
603617
Created by
admin on Sat Jun 26 14:44:07 UTC 2021 , Edited by admin on Sat Jun 26 14:44:07 UTC 2021
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Code System | Code | Type | Description | ||
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121596517
Created by
admin on Sat Jun 26 14:44:07 UTC 2021 , Edited by admin on Sat Jun 26 14:44:07 UTC 2021
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PRIMARY | |||
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1629213-88-2
Created by
admin on Sat Jun 26 14:44:07 UTC 2021 , Edited by admin on Sat Jun 26 14:44:07 UTC 2021
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PRIMARY | |||
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38184303XR
Created by
admin on Sat Jun 26 14:44:07 UTC 2021 , Edited by admin on Sat Jun 26 14:44:07 UTC 2021
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PRIMARY | |||
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C175717
Created by
admin on Sat Jun 26 14:44:07 UTC 2021 , Edited by admin on Sat Jun 26 14:44:07 UTC 2021
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PRIMARY | |||
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10323
Created by
admin on Sat Jun 26 14:44:07 UTC 2021 , Edited by admin on Sat Jun 26 14:44:07 UTC 2021
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PRIMARY |
Related Record | Type | Details | ||
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SALT/SOLVATE -> PARENT | |||
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TARGET->ANTIGEN |
T-CELL ANTIGEN
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Related Record | Type | Details | ||
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ACTIVE MOIETY |