Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C46H65N15O12S2.C2H4O2 |
Molecular Weight | 1144.284 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 8 / 8 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(O)=O.N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=C(O)C=C3)NC1=O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
InChI
InChIKey=ZHFGXNMADRRGQP-HPILINOVSA-N
InChI=1S/C46H65N15O12S2.C2H4O2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25;1-2(3)4/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53);1H3,(H,3,4)/t27-,28-,29-,30-,31-,32-,33-,34-;/m0./s1
Approval Year
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Code System | Code | Type | Description | ||
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300000013121
Created by
admin on Sat Dec 16 08:23:36 GMT 2023 , Edited by admin on Sat Dec 16 08:23:36 GMT 2023
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PRIMARY | |||
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DTXSID2046597
Created by
admin on Sat Dec 16 08:23:36 GMT 2023 , Edited by admin on Sat Dec 16 08:23:36 GMT 2023
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PRIMARY | |||
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HF9374N68K
Created by
admin on Sat Dec 16 08:23:36 GMT 2023 , Edited by admin on Sat Dec 16 08:23:36 GMT 2023
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PRIMARY | |||
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83968-48-3
Created by
admin on Sat Dec 16 08:23:36 GMT 2023 , Edited by admin on Sat Dec 16 08:23:36 GMT 2023
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PRIMARY | |||
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129979-57-3
Created by
admin on Sat Dec 16 08:23:36 GMT 2023 , Edited by admin on Sat Dec 16 08:23:36 GMT 2023
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NON-SPECIFIC STOICHIOMETRY | |||
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9549168
Created by
admin on Sat Dec 16 08:23:36 GMT 2023 , Edited by admin on Sat Dec 16 08:23:36 GMT 2023
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PRIMARY |
SUBSTANCE RECORD