Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C69H111N21O25S |
| Molecular Weight | 1666.81 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 16 / 16 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
InChI
InChIKey=YUHQEHHHXBLYMI-RUTMUIDRSA-N
InChI=1S/C69H111N21O25S/c1-7-32(4)53(88-55(101)33(5)78-65(111)47-11-9-23-90(47)67(113)41(17-20-49(72)96)83-63(109)45(28-91)86-59(105)40(18-21-52(99)100)81-60(106)42(24-31(2)3)84-56(102)37(70)30-116)66(112)82-38(10-8-22-76-69(74)75)58(104)85-44(26-50(73)97)62(108)80-39(16-19-48(71)95)57(103)77-27-51(98)79-43(25-35-12-14-36(94)15-13-35)61(107)87-46(29-92)64(110)89-54(34(6)93)68(114)115/h12-15,31-34,37-47,53-54,91-94,116H,7-11,16-30,70H2,1-6H3,(H2,71,95)(H2,72,96)(H2,73,97)(H,77,103)(H,78,111)(H,79,98)(H,80,108)(H,81,106)(H,82,112)(H,83,109)(H,84,102)(H,85,104)(H,86,105)(H,87,107)(H,88,101)(H,89,110)(H,99,100)(H,114,115)(H4,74,75,76)/t32-,33-,34+,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,53-,54-/m0/s1
| Molecular Formula | C69H111N21O25S |
| Molecular Weight | 1666.81 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 16 / 16 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 10:37:14 GMT 2025
by
admin
on
Wed Apr 02 10:37:14 GMT 2025
|
| Record UNII |
2M4A39P3DJ
|
| Record Status |
alternative
|
| Record Version |
|
-
Download
| Related Record | Type | Details | ||
|---|---|---|---|---|
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Primary Definition |
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