Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C72H96ClN17O14.C2H4O2 |
| Molecular Weight | 1519.143 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 10 / 10 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(O)=O.CCCC[C@H](NC(=O)[C@@H](CCCCNC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](CC2=CN=CC=C2)NC(=O)[C@@H](CC3=CC=C(Cl)C=C3)NC(=O)[C@@H](CC4=CC5=CC=CC=C5C=C4)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N6CCC[C@H]6C(=O)N[C@H](C)C(N)=O
InChI
InChIKey=WMTZITCJULQSAS-FDIISDFSSA-N
InChI=1S/C72H96ClN17O14.C2H4O2/c1-5-6-17-52(63(96)85-54(19-12-33-79-71(75)76)70(103)90-34-13-20-59(90)67(100)81-42(2)61(74)94)83-62(95)53(18-9-10-32-80-72(77)104)84-68(101)60(39-45-24-29-51(93)30-25-45)89(4)69(102)58(41-91)88-66(99)57(38-47-14-11-31-78-40-47)87-65(98)56(36-44-22-27-50(73)28-23-44)86-64(97)55(82-43(3)92)37-46-21-26-48-15-7-8-16-49(48)35-46;1-2(3)4/h7-8,11,14-16,21-31,35,40,42,52-60,91,93H,5-6,9-10,12-13,17-20,32-34,36-39,41H2,1-4H3,(H2,74,94)(H,81,100)(H,82,92)(H,83,95)(H,84,101)(H,85,96)(H,86,97)(H,87,98)(H,88,99)(H4,75,76,79)(H3,77,80,104);1H3,(H,3,4)/t42-,52+,53-,54+,55-,56-,57-,58+,59+,60+;/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 | C72H96ClN17O14 |
| Molecular Weight | 1459.091 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 10 / 10 |
| E/Z Centers | 2 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 02:55:26 UTC 2023
by
admin
on
Sat Dec 16 02:55:26 UTC 2023
|
| Record UNII |
05D1DCL744
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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DTXSID20237851
Created by
admin on Sat Dec 16 02:55:27 UTC 2023 , Edited by admin on Sat Dec 16 02:55:27 UTC 2023
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PRIMARY | |||
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896710-46-6
Created by
admin on Sat Dec 16 02:55:27 UTC 2023 , Edited by admin on Sat Dec 16 02:55:27 UTC 2023
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NON-SPECIFIC STOICHIOMETRY | |||
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05D1DCL744
Created by
admin on Sat Dec 16 02:55:27 UTC 2023 , Edited by admin on Sat Dec 16 02:55:27 UTC 2023
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PRIMARY | |||
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71587850
Created by
admin on Sat Dec 16 02:55:27 UTC 2023 , Edited by admin on Sat Dec 16 02:55:27 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |