Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C152H248N50O49S2.C2H4O2 |
| Molecular Weight | 3684.083 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 36 / 36 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(O)=O.CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CNC=N2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CC3=CC=C(O)C=C3)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC5=CC=C(O)C=C5)C(N)=O
InChI
InChIKey=NVUKDWGDTWGJSK-WOWZFUDWSA-N
InChI=1S/C152H248N50O49S2.C2H4O2/c1-66(2)48-91(189-143(245)113(70(9)10)195-140(242)103-64-253-252-63-102(193-122(224)83(154)24-18-19-43-153)139(241)188-97(56-108(158)216)135(237)200-115(73(13)206)144(246)174-71(11)121(223)196-116(74(14)207)148(250)194-103)123(225)171-59-110(218)175-84(25-20-44-168-150(161)162)124(226)183-94(51-69(7)8)132(234)192-101(62-204)138(240)180-87(37-40-105(155)213)126(228)178-89(39-42-112(220)221)127(229)185-93(50-68(5)6)131(233)186-95(54-80-58-167-65-173-80)133(235)177-85(26-21-45-169-151(163)164)125(227)184-92(49-67(3)4)130(232)179-88(38-41-106(156)214)129(231)199-119(77(17)210)147(249)191-99(53-79-31-35-82(212)36-32-79)149(251)202-47-23-28-104(202)141(243)181-86(27-22-46-170-152(165)166)128(230)198-118(76(16)209)146(248)190-98(57-109(159)217)136(238)197-114(72(12)205)142(244)172-60-111(219)176-100(61-203)137(239)187-96(55-107(157)215)134(236)201-117(75(15)208)145(247)182-90(120(160)222)52-78-29-33-81(211)34-30-78;1-2(3)4/h29-36,58,65-77,83-104,113-119,203-212H,18-28,37-57,59-64,153-154H2,1-17H3,(H2,155,213)(H2,156,214)(H2,157,215)(H2,158,216)(H2,159,217)(H2,160,222)(H,167,173)(H,171,225)(H,172,244)(H,174,246)(H,175,218)(H,176,219)(H,177,235)(H,178,228)(H,179,232)(H,180,240)(H,181,243)(H,182,247)(H,183,226)(H,184,227)(H,185,229)(H,186,233)(H,187,239)(H,188,241)(H,189,245)(H,190,248)(H,191,249)(H,192,234)(H,193,224)(H,194,250)(H,195,242)(H,196,223)(H,197,238)(H,198,230)(H,199,231)(H,200,237)(H,201,236)(H,220,221)(H4,161,162,168)(H4,163,164,169)(H4,165,166,170);1H3,(H,3,4)/t71-,72+,73+,74+,75+,76+,77+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,113-,114-,115-,116-,117-,118-,119-;/m0./s1
Approval Year
| Name | Type | Language | ||
|---|---|---|---|---|
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Official Name | English | ||
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Common Name | English | ||
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Common Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C29711
Created by
admin on Fri Dec 15 16:00:08 UTC 2023 , Edited by admin on Fri Dec 15 16:00:08 UTC 2023
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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UU-53
Created by
admin on Fri Dec 15 16:00:08 UTC 2023 , Edited by admin on Fri Dec 15 16:00:08 UTC 2023
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PRIMARY | |||
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71587841
Created by
admin on Fri Dec 15 16:00:08 UTC 2023 , Edited by admin on Fri Dec 15 16:00:08 UTC 2023
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PRIMARY | |||
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C83651
Created by
admin on Fri Dec 15 16:00:08 UTC 2023 , Edited by admin on Fri Dec 15 16:00:08 UTC 2023
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PRIMARY | |||
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879197-42-9
Created by
admin on Fri Dec 15 16:00:08 UTC 2023 , Edited by admin on Fri Dec 15 16:00:08 UTC 2023
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PRIMARY | |||
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CHEMBL2105635
Created by
admin on Fri Dec 15 16:00:08 UTC 2023 , Edited by admin on Fri Dec 15 16:00:08 UTC 2023
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PRIMARY | |||
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DTXSID90236699
Created by
admin on Fri Dec 15 16:00:08 UTC 2023 , Edited by admin on Fri Dec 15 16:00:08 UTC 2023
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PRIMARY | |||
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4QM48103XT
Created by
admin on Fri Dec 15 16:00:08 UTC 2023 , Edited by admin on Fri Dec 15 16:00:08 UTC 2023
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PRIMARY |
ACTIVE MOIETY
SUBSTANCE RECORD