Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C77H119N22O22S2.Ac |
| Molecular Weight | 1994.056 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 10 / 10 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[225Ac+3].CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC1=CC=CS1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(N)=N)NC(=O)CN5CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC5)C(=O)N[C@@H](CCS(C)(=O)=O)C(N)=O
InChI
InChIKey=FMQURNZNWLIWQS-BCAUDCSCSA-K
InChI=1S/C77H122N22O22S2.Ac/c1-47(2)39-55(71(114)88-50(67(81)110)24-38-123(3,120)121)87-62(102)42-85-68(111)57(41-49-15-12-37-122-49)93-72(115)56(40-48-13-5-4-6-14-48)92-70(113)51(20-22-60(79)100)89-69(112)52(21-23-61(80)101)90-73(116)58-18-10-28-99(58)76(119)54(16-7-8-25-78)91-74(117)59-19-11-27-98(59)75(118)53(17-9-26-84-77(82)83)86-63(103)43-94-29-31-95(44-64(104)105)33-35-97(46-66(108)109)36-34-96(32-30-94)45-65(106)107;/h4-6,12-15,37,47,50-59H,7-11,16-36,38-46,78H2,1-3H3,(H2,79,100)(H2,80,101)(H2,81,110)(H,85,111)(H,86,103)(H,87,102)(H,88,114)(H,89,112)(H,90,116)(H,91,117)(H,92,113)(H,93,115)(H,104,105)(H,106,107)(H,108,109)(H4,82,83,84);/q;+3/p-3/t50-,51-,52-,53-,54-,55-,56-,57-,58-,59-;/m0./s1/i;1-2
| Molecular Formula | C77H119N22O22S2 |
| Molecular Weight | 1769.033 |
| Charge | -3 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 10 / 10 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | Ac |
| Molecular Weight | 225.0232 |
| Charge | 3 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:21:50 UTC 2023
by
admin
on
Sat Dec 16 19:21:50 UTC 2023
|
| Record UNII |
44S7GN2UDJ
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
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Common Name | English | ||
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Systematic Name | English | ||
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Common Name | English | ||
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Common Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
|
FDA ORPHAN DRUG |
820221
Created by
admin on Sat Dec 16 19:21:51 UTC 2023 , Edited by admin on Sat Dec 16 19:21:51 UTC 2023
|
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
2230254-48-3
Created by
admin on Sat Dec 16 19:21:51 UTC 2023 , Edited by admin on Sat Dec 16 19:21:51 UTC 2023
|
PRIMARY | |||
|
44S7GN2UDJ
Created by
admin on Sat Dec 16 19:21:51 UTC 2023 , Edited by admin on Sat Dec 16 19:21:51 UTC 2023
|
PRIMARY |
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