Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C70H103N23O25S |
| Molecular Weight | 1698.771 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 13 / 13 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC2=CNC=N2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CO)NC(=O)[C@H](CC4=CNC=N4)NC(=O)[C@@H](N)CC(N)=O)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CO)C(O)=O
InChI
InChIKey=JMERQHNMVLYQBG-XIQIEEFNSA-N
InChI=1S/C70H103N23O25S/c1-119-21-18-43(60(107)79-29-54(99)82-41(13-16-52(74)97)62(109)85-40(12-15-51(73)96)59(106)78-30-55(100)83-49(32-95)70(117)118)87-68(115)50-11-7-20-93(50)69(116)47(26-57(103)104)91-63(110)42(14-17-56(101)102)86-65(112)46(24-37-28-77-34-81-37)90-61(108)39(10-5-6-19-71)84-64(111)44(22-35-8-3-2-4-9-35)89-67(114)48(31-94)92-66(113)45(23-36-27-76-33-80-36)88-58(105)38(72)25-53(75)98/h2-4,8-9,27-28,33-34,38-50,94-95H,5-7,10-26,29-32,71-72H2,1H3,(H2,73,96)(H2,74,97)(H2,75,98)(H,76,80)(H,77,81)(H,78,106)(H,79,107)(H,82,99)(H,83,100)(H,84,111)(H,85,109)(H,86,112)(H,87,115)(H,88,105)(H,89,114)(H,90,108)(H,91,110)(H,92,113)(H,101,102)(H,103,104)(H,117,118)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
Approval Year
SUBSTANCE RECORD