Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C80H106Cl2N11O27P.ClH |
Molecular Weight | 1792.096 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 18 / 18 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.[H][C@@]1(C[C@](C)(NCCNCCCCCCCCCC)[C@H](O)[C@H](C)O1)O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC3=C4OC5=C(Cl)C=C(C=C5)[C@@H](O)[C@]6([H])NC(=O)[C@H](NC(=O)[C@@H]7NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC)[C@H](O)C8=CC=C(OC3=CC7=C4)C(Cl)=C8)C9=CC=C(O)C(=C9)C%10=C(C=C(O)C(CNCP(O)(O)=O)=C%10O)[C@H](NC6=O)C(O)=O
InChI
InChIKey=GSSIWSIRBWAZHG-ACOPVEIWSA-N
InChI=1S/C80H106Cl2N11O27P.ClH/c1-7-8-9-10-11-12-13-14-21-85-22-23-87-80(5)32-57(115-37(4)71(80)103)119-70-68(102)67(101)55(34-94)118-79(70)120-69-53-28-41-29-54(69)117-52-20-17-40(27-46(52)82)65(99)63-77(109)91-61(78(110)111)43-30-50(96)44(33-86-35-121(112,113)114)66(100)58(43)42-25-38(15-18-49(42)95)59(74(106)93-63)90-75(107)60(41)89-73(105)48(31-56(83)97)88-76(108)62(92-72(104)47(84-6)24-36(2)3)64(98)39-16-19-51(116-53)45(81)26-39;/h15-20,25-30,36-37,47-48,55,57,59-65,67-68,70-71,79,84-87,94-96,98-103H,7-14,21-24,31-35H2,1-6H3,(H2,83,97)(H,88,108)(H,89,105)(H,90,107)(H,91,109)(H,92,104)(H,93,106)(H,110,111)(H2,112,113,114);1H/t37-,47+,48-,55+,57-,59+,60+,61-,62+,63-,64+,65+,67+,68-,70+,71+,79-,80-;/m0./s1
Molecular Formula | ClH |
Molecular Weight | 36.461 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C80H106Cl2N11O27P |
Molecular Weight | 1755.635 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 18 / 18 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:52:57 UTC 2023
by
admin
on
Fri Dec 15 15:52:57 UTC 2023
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Record UNII |
0701472ZG0
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C61101
Created by
admin on Fri Dec 15 15:52:57 UTC 2023 , Edited by admin on Fri Dec 15 15:52:57 UTC 2023
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Code System | Code | Type | Description | ||
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DBSALT000170
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PRIMARY | |||
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560130-42-9
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admin on Fri Dec 15 15:52:57 UTC 2023 , Edited by admin on Fri Dec 15 15:52:57 UTC 2023
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0701472ZG0
Created by
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PRIMARY | |||
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864624
Created by
admin on Fri Dec 15 15:52:57 UTC 2023 , Edited by admin on Fri Dec 15 15:52:57 UTC 2023
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PRIMARY | RxNorm | ||
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SUB35005
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71226
Created by
admin on Fri Dec 15 15:52:57 UTC 2023 , Edited by admin on Fri Dec 15 15:52:57 UTC 2023
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380636-75-9
Created by
admin on Fri Dec 15 15:52:57 UTC 2023 , Edited by admin on Fri Dec 15 15:52:57 UTC 2023
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NON-SPECIFIC STOICHIOMETRY | |||
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9812715
Created by
admin on Fri Dec 15 15:52:57 UTC 2023 , Edited by admin on Fri Dec 15 15:52:57 UTC 2023
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C87636
Created by
admin on Fri Dec 15 15:52:57 UTC 2023 , Edited by admin on Fri Dec 15 15:52:57 UTC 2023
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0701472ZG0
Created by
admin on Fri Dec 15 15:52:57 UTC 2023 , Edited by admin on Fri Dec 15 15:52:57 UTC 2023
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m10527
Created by
admin on Fri Dec 15 15:52:57 UTC 2023 , Edited by admin on Fri Dec 15 15:52:57 UTC 2023
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PRIMARY | Merck Index | ||
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CHEMBL507870
Created by
admin on Fri Dec 15 15:52:57 UTC 2023 , Edited by admin on Fri Dec 15 15:52:57 UTC 2023
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PP-64
Created by
admin on Fri Dec 15 15:52:57 UTC 2023 , Edited by admin on Fri Dec 15 15:52:57 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |