Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C69H103N17O14S2 |
Molecular Weight | 1458.792 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 8 / 10 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)CCCC(=O)NC34CNCCNCC(C)(CNCCNC3)CNCCNC4)C(=O)N[C@@H](CC5=CC=C(O)C=C5)C(=O)N[C@H](CC6=CNC7=C6C=CC=C7)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O
InChI
InChIKey=HXUFICPASZINEN-FARVCQIJSA-N
InChI=1S/C69H103N17O14S2/c1-42(87)58-66(98)83-55(65(97)85-59(43(2)88)67(99)100)35-102-101-34-54(64(96)80-52(31-45-19-21-47(89)22-20-45)62(94)81-53(32-46-33-77-49-15-8-7-14-48(46)49)63(95)79-50(60(92)84-58)16-9-10-23-70)82-61(93)51(30-44-12-5-4-6-13-44)78-56(90)17-11-18-57(91)86-69-39-74-27-24-71-36-68(3,37-72-25-28-75-40-69)38-73-26-29-76-41-69/h4-8,12-15,19-22,33,42-43,50-55,58-59,71-77,87-89H,9-11,16-18,23-32,34-41,70H2,1-3H3,(H,78,90)(H,79,95)(H,80,96)(H,81,94)(H,82,93)(H,83,98)(H,84,92)(H,85,97)(H,86,91)(H,99,100)/t42?,43?,50-,51+,52-,53+,54-,55-,58-,59-,68?,69?/m0/s1
Molecular Formula | C69H103N17O14S2 |
Molecular Weight | 1458.792 |
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 15:12:20 UTC 2023
by
admin
on
Sat Dec 16 15:12:20 UTC 2023
|
Record UNII |
KVE6FF6B6G
|
Record Status |
Validated (UNII)
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Record Version |
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-
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KVE6FF6B6G
Created by
admin on Sat Dec 16 15:12:21 UTC 2023 , Edited by admin on Sat Dec 16 15:12:21 UTC 2023
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1518779-60-6
Created by
admin on Sat Dec 16 15:12:21 UTC 2023 , Edited by admin on Sat Dec 16 15:12:21 UTC 2023
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139593443
Created by
admin on Sat Dec 16 15:12:21 UTC 2023 , Edited by admin on Sat Dec 16 15:12:21 UTC 2023
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12795
Created by
admin on Sat Dec 16 15:12:21 UTC 2023 , Edited by admin on Sat Dec 16 15:12:21 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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LABELED -> NON-LABELED |
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LABELED -> NON-LABELED |
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