Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C72H111N19O25S2 |
| Molecular Weight | 1706.894 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 16 / 16 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CSCC[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CC=C(O)C=C3)C(O)=O
InChI
InChIKey=ZBVXMGMVWFSWPS-QJBTXUPFSA-N
InChI=1S/C72H111N19O25S2/c1-36(78-59(103)42(74)32-92)58(102)87-50(33-93)65(109)82-45(22-24-55(99)100)63(107)90-56(38(3)95)69(113)88-51(34-94)66(110)81-44(21-23-54(97)98)61(105)80-43(14-8-9-26-73)60(104)84-47(15-10-27-77-72(75)76)70(114)91-28-11-16-53(91)68(112)85-48(30-39-12-6-5-7-13-39)64(108)83-46(25-29-118-4)62(106)89-52(35-117)67(111)79-37(2)57(101)86-49(71(115)116)31-40-17-19-41(96)20-18-40/h5-7,12-13,17-20,36-38,42-53,56,92-96,117H,8-11,14-16,21-35,73-74H2,1-4H3,(H,78,103)(H,79,111)(H,80,105)(H,81,110)(H,82,109)(H,83,108)(H,84,104)(H,85,112)(H,86,101)(H,87,102)(H,88,113)(H,89,106)(H,90,107)(H,97,98)(H,99,100)(H,115,116)(H4,75,76,77)/t36-,37-,38+,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,56-/m0/s1
| Molecular Formula | C72H111N19O25S2 |
| Molecular Weight | 1706.894 |
| 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 10:21:04 GMT 2025
by
admin
on
Wed Apr 02 10:21:04 GMT 2025
|
| Record UNII |
WCC5C2RTL8
|
| Record Status |
alternative
|
| Record Version |
|
-
Download
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
Primary Definition |
|