Details
| Stereochemistry | EPIMERIC |
| Molecular Formula | C68H82ClN13O19S |
| Molecular Weight | 1452.972 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 5 |
| E/Z Centers | 2 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)[C@H](\N=C(/O)OCCOCCN1C(=O)CC(SC[C@H](N)C(O)=O)C1=O)C(\O)=N\[C@@H](CCCNC(O)=N)C(=O)NC2=CC=C(COC(=O)N(C)CCN(CCOCCO)C(=O)OC3=C4C=CC=C(C)C4=C5[C@H](CCl)CN(C(=O)C6=CN7C=C(NC(=O)C8=CC=C(O)C=C8)C=CC7=N6)C5=C3)C=C2
InChI
InChIKey=XSRZHAVFLQPDTQ-VAIXIIITSA-N
InChI=1S/C68H82ClN13O19S/c1-39(2)58(77-66(94)99-30-29-98-27-24-81-55(85)32-53(63(81)90)102-38-48(70)64(91)92)61(88)76-49(9-6-20-72-65(71)93)60(87)73-44-14-10-41(11-15-44)37-100-67(95)78(4)21-22-79(23-26-97-28-25-83)68(96)101-52-31-51-57(56-40(3)7-5-8-47(52)56)43(33-69)34-82(51)62(89)50-36-80-35-45(16-19-54(80)75-50)74-59(86)42-12-17-46(84)18-13-42/h5,7-8,10-19,31,35-36,39,43,48-49,53,58,83-84H,6,9,20-30,32-34,37-38,70H2,1-4H3,(H,73,87)(H,74,86)(H,76,88)(H,77,94)(H,91,92)(H3,71,72,93)/t43-,48+,49+,53?,58+/m1/s1
| Molecular Formula | C68H82ClN13O19S |
| Molecular Weight | 1452.972 |
| Charge | 0 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 5 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Tue Apr 01 22:57:13 GMT 2025
by
admin
on
Tue Apr 01 22:57:13 GMT 2025
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| Record UNII |
UWX7VBI64S
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| Record Status |
Validated (UNII)
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| Record Version |
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Created by
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UWX7VBI64S
Created by
admin on Tue Apr 01 22:57:13 GMT 2025 , Edited by admin on Tue Apr 01 22:57:13 GMT 2025
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PRIMARY |