Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C71H81N19O18S5 |
Molecular Weight | 1648.844 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 15 / 15 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@]12CSC(=N1)\C(NC(=O)[C@@]([H])(NC(=O)C3=CSC(=N3)[C@@]45CCC(=N[C@]4([H])C6=CSC(=N6)[C@@]([H])(NC(=O)C7=CSC(=N7)[C@@]([H])(NC2=O)[C@](C)(O)[C@@H](C)O)[C@@H](C)OC(=O)C8=CC([C@H](C)O)=C9C=C[C@@]([H])(N[C@@H](C(C)C)C(=O)NC(=C)C(=O)NC(=C)C(=O)N[C@@H](C)C(=O)N5)[C@H](O)C9=N8)C%10=NC(=CS%10)C(=O)NC(=C)C(=O)NC(=C)C(N)=O)[C@@H](C)O)=C\C
InChI
InChIKey=AKFVOKPQHFBYCA-KJULAZMPSA-N
InChI=1S/C71H81N19O18S5/c1-14-37-64-83-44(22-109-64)61(103)89-52(70(13,107)34(12)93)67-85-43(23-112-67)59(101)88-48-33(11)108-68(106)40-19-36(31(9)91)35-15-16-38(50(94)49(35)79-40)78-46(25(2)3)62(104)77-29(7)56(98)74-27(5)55(97)75-30(8)57(99)90-71(69-86-45(24-113-69)60(102)87-47(32(10)92)63(105)81-37)18-17-39(80-51(71)41-20-111-66(48)82-41)65-84-42(21-110-65)58(100)76-28(6)54(96)73-26(4)53(72)95/h14-16,19-21,23-25,30-34,38,44,46-48,50-52,78,91-94,107H,4-7,17-18,22H2,1-3,8-13H3,(H2,72,95)(H,73,96)(H,74,98)(H,75,97)(H,76,100)(H,77,104)(H,81,105)(H,87,102)(H,88,101)(H,89,103)(H,90,99)/b37-14-/t30-,31-,32+,33+,34+,38+,44+,46-,47-,48-,50-,51+,52+,70+,71+/m0/s1
Molecular Formula | C71H81N19O18S5 |
Molecular Weight | 1648.844 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 15 / 15 |
E/Z Centers | 3 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 09:52:52 GMT 2023
by
admin
on
Sat Dec 16 09:52:52 GMT 2023
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Record UNII |
AJY431WN1J
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Record Status |
Validated (UNII)
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Record Version |
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285116
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AJY431WN1J
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12656-09-6
Created by
admin on Sat Dec 16 09:52:52 GMT 2023 , Edited by admin on Sat Dec 16 09:52:52 GMT 2023
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