Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C65H96N16O12S2 |
Molecular Weight | 1357.688 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 10 / 10 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CC4=CC=C(O)C=C4)NC(=O)[C@H](CC5=CC=CC=C5)N(C)C(=O)[C@H](CCSCC(=O)NC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(N)=O)NC1=O
InChI
InChIKey=XXXSJQLZVNKRKX-YQRDHHIGSA-N
InChI=1S/C65H96N16O12S2/c1-38(2)55-64(92)76-49(26-30-95-37-54(83)72-35-44(69)57(85)74-47(20-10-13-28-67)58(86)79-52(36-94)62(90)73-46(56(70)84)19-9-12-27-66)65(93)81(3)53(32-39-15-5-4-6-16-39)63(91)78-50(31-40-22-24-42(82)25-23-40)60(88)77-51(33-41-34-71-45-18-8-7-17-43(41)45)61(89)75-48(59(87)80-55)21-11-14-29-68/h4-8,15-18,22-25,34,38,44,46-53,55,71,82,94H,9-14,19-21,26-33,35-37,66-69H2,1-3H3,(H2,70,84)(H,72,83)(H,73,90)(H,74,85)(H,75,89)(H,76,92)(H,77,88)(H,78,91)(H,79,86)(H,80,87)/t44-,46-,47-,48-,49-,50-,51+,52-,53-,55-/m0/s1
Molecular Formula | C65H96N16O12S2 |
Molecular Weight | 1357.688 |
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
Fri Dec 15 15:45:05 UTC 2023
by
admin
on
Fri Dec 15 15:45:05 UTC 2023
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Record UNII |
NDP0H8E844
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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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Code | English | ||
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Code | English |
Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C62799
Created by
admin on Fri Dec 15 15:45:05 UTC 2023 , Edited by admin on Fri Dec 15 15:45:05 UTC 2023
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Code System | Code | Type | Description | ||
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161982-62-3
Created by
admin on Fri Dec 15 15:45:05 UTC 2023 , Edited by admin on Fri Dec 15 15:45:05 UTC 2023
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PRIMARY | |||
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C83660
Created by
admin on Fri Dec 15 15:45:05 UTC 2023 , Edited by admin on Fri Dec 15 15:45:05 UTC 2023
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2954
Created by
admin on Fri Dec 15 15:45:05 UTC 2023 , Edited by admin on Fri Dec 15 15:45:05 UTC 2023
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NDP0H8E844
Created by
admin on Fri Dec 15 15:45:05 UTC 2023 , Edited by admin on Fri Dec 15 15:45:05 UTC 2023
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JJ-40
Created by
admin on Fri Dec 15 15:45:05 UTC 2023 , Edited by admin on Fri Dec 15 15:45:05 UTC 2023
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100000092122
Created by
admin on Fri Dec 15 15:45:05 UTC 2023 , Edited by admin on Fri Dec 15 15:45:05 UTC 2023
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9898619
Created by
admin on Fri Dec 15 15:45:05 UTC 2023 , Edited by admin on Fri Dec 15 15:45:05 UTC 2023
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SUB22083
Created by
admin on Fri Dec 15 15:45:05 UTC 2023 , Edited by admin on Fri Dec 15 15:45:05 UTC 2023
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DTXSID301026951
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7800
Created by
admin on Fri Dec 15 15:45:05 UTC 2023 , Edited by admin on Fri Dec 15 15:45:05 UTC 2023
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CHEMBL1908335
Created by
admin on Fri Dec 15 15:45:05 UTC 2023 , Edited by admin on Fri Dec 15 15:45:05 UTC 2023
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DB11628
Created by
admin on Fri Dec 15 15:45:05 UTC 2023 , Edited by admin on Fri Dec 15 15:45:05 UTC 2023
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m4182
Created by
admin on Fri Dec 15 15:45:05 UTC 2023 , Edited by admin on Fri Dec 15 15:45:05 UTC 2023
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PRIMARY | Merck Index |
Related Record | Type | Details | ||
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PARENT -> DERIVATIVE |
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SALT/SOLVATE -> PARENT |
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TARGET->LIGAND |
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TARGET->LIGAND |
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SALT/SOLVATE -> PARENT |
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LABELED -> NON-LABELED |
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TARGET->LIGAND |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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