Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C78H125N15O20S3 |
| Molecular Weight | 1689.111 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 14 / 14 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)C2=CC=CC=C2)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCC3=CC=C(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CSCCC(=O)N4CN(CN(C4)C(=O)CCSC[C@H](N)C(O)=O)C(=O)CCSC[C@H](N)C(O)=O)C(C)C)C=C3)C(C)C
InChI
InChIKey=KAGLOHRFMJADAW-CELSWSDYSA-N
InChI=1S/C78H125N15O20S3/c1-15-48(8)67(58(111-13)37-63(98)93-33-20-24-57(93)69(112-14)49(9)70(100)83-50(10)68(99)52-21-17-16-18-22-52)88(11)74(104)65(46(4)5)87-73(103)66(47(6)7)89(12)78(110)113-38-51-25-27-53(28-26-51)84-71(101)56(23-19-32-82-77(81)109)85-72(102)64(45(2)3)86-59(94)41-116-36-31-62(97)92-43-90(60(95)29-34-114-39-54(79)75(105)106)42-91(44-92)61(96)30-35-115-40-55(80)76(107)108/h16-18,21-22,25-28,45-50,54-58,64-69,99H,15,19-20,23-24,29-44,79-80H2,1-14H3,(H,83,100)(H,84,101)(H,85,102)(H,86,94)(H,87,103)(H,105,106)(H,107,108)(H3,81,82,109)/t48-,49+,50+,54-,55-,56-,57-,58+,64-,65-,66-,67-,68+,69+/m0/s1
| Molecular Formula | C78H125N15O20S3 |
| Molecular Weight | 1689.111 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 14 / 14 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 19:44:08 GMT 2025
by
admin
on
Wed Apr 02 19:44:08 GMT 2025
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| Record UNII |
5BGF9D8YHK
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| Record Status |
Validated (UNII)
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| Record Version |
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Created by
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171390189
Created by
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