Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C46H64N14O12S2.2C2H4O2 |
| Molecular Weight | 1189.321 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 7 / 7 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(O)=O.CC(O)=O.NC(=O)CC[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=C(O)C=C3)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N4CCC[C@H]4C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O
InChI
InChIKey=GNASTRMPURYAFJ-VCCVNBJCSA-N
InChI=1S/C46H64N14O12S2.2C2H4O2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25;2*1-2(3)4/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52);2*1H3,(H,3,4)/t28-,29+,30+,31+,32+,33+,34+;;/m1../s1
| Molecular Formula | C2H4O2 |
| Molecular Weight | 60.052 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C46H64N14O12S2 |
| Molecular Weight | 1069.217 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 7 / 7 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 21:17:32 UTC 2023
by
admin
on
Fri Dec 15 21:17:32 UTC 2023
|
| Record UNII |
242K8LE2BC
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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SUB01598MIG
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76962180
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242K8LE2BC
Created by
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16789-98-3
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admin on Fri Dec 15 21:17:32 UTC 2023 , Edited by admin on Fri Dec 15 21:17:32 UTC 2023
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100000087756
Created by
admin on Fri Dec 15 21:17:32 UTC 2023 , Edited by admin on Fri Dec 15 21:17:32 UTC 2023
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| Related Record | Type | Details | ||
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