Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C80H130N22O20S |
| Molecular Weight | 1752.089 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 15 / 15 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CNC=N2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(O)=O
InChI
InChIKey=OZQRYWUPRJZFLZ-LFSBUUJWSA-N
InChI=1S/C80H130N22O20S/c1-42(2)31-56(72(113)94-54(24-26-64(106)107)71(112)102-66(47(10)103)79(120)101-59(34-48-19-13-12-14-20-48)75(116)93-52(22-16-18-29-82)68(109)90-46(9)80(121)122)96-77(118)61(36-50-38-86-41-89-50)99-74(115)57(32-43(3)4)97-76(117)60(35-49-37-85-40-88-49)98-69(110)53(23-25-62(83)104)91-63(105)39-87-67(108)51(21-15-17-28-81)92-70(111)55(27-30-123-11)95-73(114)58(33-44(5)6)100-78(119)65(84)45(7)8/h12-14,19-20,37-38,40-47,51-61,65-66,103H,15-18,21-36,39,81-82,84H2,1-11H3,(H2,83,104)(H,85,88)(H,86,89)(H,87,108)(H,90,109)(H,91,105)(H,92,111)(H,93,116)(H,94,113)(H,95,114)(H,96,118)(H,97,117)(H,98,110)(H,99,115)(H,100,119)(H,101,120)(H,102,112)(H,106,107)(H,121,122)/t46-,47+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,65-,66-/m0/s1
| Molecular Formula | C80H130N22O20S |
| Molecular Weight | 1752.089 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 15 / 15 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 13:26:22 GMT 2025
by
admin
on
Wed Apr 02 13:26:22 GMT 2025
|
| Record UNII |
2EEQ5CSR2M
|
| Record Status |
alternative
|
| Record Version |
|
-
Download
| Related Record | Type | Details | ||
|---|---|---|---|---|
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Primary Definition |
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