| Stereochemistry | ABSOLUTE |
| Molecular Formula | C51H77N15O11S3.C2H4O2 |
| Molecular Weight | 1232.498 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(O)=O.CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)CC4(CCSCC4)SSC(C)(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
InChI
InChIKey=JUMWYJOGOKGMDG-YMPZDJIKSA-N
InChI=1S/C51H77N15O11S3.C2H4O2/c1-5-27(2)40-47(76)62-32(14-15-36(52)67)43(72)63-34(23-37(53)68)45(74)65-41(48(77)66-19-9-13-35(66)46(75)61-31(12-8-18-57-49(55)56)42(71)59-26-38(54)69)50(3,4)79-80-51(16-20-78-21-17-51)24-39(70)60-33(44(73)64-40)22-28-25-58-30-11-7-6-10-29(28)30;1-2(3)4/h6-7,10-11,25,27,31-35,40-41,58H,5,8-9,12-24,26H2,1-4H3,(H2,52,67)(H2,53,68)(H2,54,69)(H,59,71)(H,60,70)(H,61,75)(H,62,76)(H,63,72)(H,64,73)(H,65,74)(H4,55,56,57);1H3,(H,3,4)/t27-,31-,32-,33+,34-,35-,40-,41+;/m0./s1
| Molecular Formula | C2H4O2 |
| Molecular Weight | 60.052 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C51H77N15O11S3 |
| Molecular Weight | 1172.446 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
