Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C66H103N17O16S.C15H12O6 |
| Molecular Weight | 1710.946 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 15 / 15 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C1=CC(CC2=CC(C(O)=O)=C(O)C=C2)=CC=C1O.CC[C@H](C)[C@H](N)C3=N[C@@H](CS3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]4CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC5=CNC=N5)NC(=O)[C@@H](CC6=CC=CC=C6)NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC4=O)[C@@H](C)CC
InChI
InChIKey=BNVATOPFNKGIAU-DFTDUNEMSA-N
InChI=1S/C66H103N17O16S.C15H12O6/c1-9-35(6)52(69)66-81-48(32-100-66)63(97)76-43(26-34(4)5)59(93)74-42(22-23-50(85)86)58(92)83-53(36(7)10-2)64(98)75-40-20-15-16-25-71-55(89)46(29-49(68)84)78-62(96)47(30-51(87)88)79-61(95)45(28-39-31-70-33-72-39)77-60(94)44(27-38-18-13-12-14-19-38)80-65(99)54(37(8)11-3)82-57(91)41(21-17-24-67)73-56(40)90;16-12-3-1-8(6-10(12)14(18)19)5-9-2-4-13(17)11(7-9)15(20)21/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,70,72)(H,71,89)(H,73,90)(H,74,93)(H,75,98)(H,76,97)(H,77,94)(H,78,96)(H,79,95)(H,80,99)(H,82,91)(H,83,92)(H,85,86)(H,87,88);1-4,6-7,16-17H,5H2,(H,18,19)(H,20,21)/t35-,36-,37-,40-,41+,42+,43-,44+,45-,46-,47+,48-,52-,53-,54-;/m0./s1
| Molecular Formula | C15H12O6 |
| Molecular Weight | 288.2522 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C66H103N17O16S |
| Molecular Weight | 1422.693 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 15 / 15 |
| E/Z Centers | 4 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 18:21:46 GMT 2025
by
admin
on
Mon Mar 31 18:21:46 GMT 2025
|
| Record UNII |
00VYB05KWP
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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Common Name | English | ||
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Preferred Name | English |
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NCI_THESAURUS |
C258
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admin on Mon Mar 31 18:21:46 GMT 2025 , Edited by admin on Mon Mar 31 18:21:46 GMT 2025
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00VYB05KWP
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C87438
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73416448
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2286577
Created by
admin on Mon Mar 31 18:21:46 GMT 2025 , Edited by admin on Mon Mar 31 18:21:46 GMT 2025
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |