Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C66H86N18O13 |
Molecular Weight | 1339.5018 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 9 / 9 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CCNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CC4=CC=C(O)C=C4)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=C5C=CC=C6)NC(=O)[C@H](CC7=CNC=N7)NC(=O)[C@@H]8CCC(=O)N8
InChI
InChIKey=KPSXIMVWBWSQEG-ITQXDASVSA-N
InChI=1S/C66H86N18O13/c1-4-70-56(88)33-74-64(96)54-16-10-24-84(54)65(97)47(15-9-23-71-66(67)68)77-58(90)48(25-36(2)3)78-60(92)50(27-38-30-72-44-13-7-5-11-42(38)44)80-59(91)49(26-37-17-19-41(86)20-18-37)79-63(95)53(34-85)83-61(93)51(28-39-31-73-45-14-8-6-12-43(39)45)81-62(94)52(29-40-32-69-35-75-40)82-57(89)46-21-22-55(87)76-46/h5-8,11-14,17-20,30-32,35-36,46-54,72-73,85-86H,4,9-10,15-16,21-29,33-34H2,1-3H3,(H,69,75)(H,70,88)(H,74,96)(H,76,87)(H,77,90)(H,78,92)(H,79,95)(H,80,91)(H,81,94)(H,82,89)(H,83,93)(H4,67,68,71)/t46-,47-,48-,49-,50+,51-,52-,53-,54-/m0/s1
Molecular Formula | C66H86N18O13 |
Molecular Weight | 1339.5018 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 9 / 9 |
E/Z Centers | 4 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:42:24 GMT 2023
by
admin
on
Fri Dec 15 15:42:24 GMT 2023
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Record UNII |
48S2W73QPR
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Record Status |
Validated (UNII)
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Record Version |
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-
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DTXSID80220486
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70235-53-9
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admin on Fri Dec 15 15:42:24 GMT 2023 , Edited by admin on Fri Dec 15 15:42:24 GMT 2023
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