Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C98H129N23O26S4 |
| Molecular Weight | 2173.471 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 17 / 17 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CSCC[C@@H]1NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CC4=CNC5=C4C=CC=C5)NC(=O)[C@@H]6C[C@@H](O)CN6C(=O)[C@@H]7CCCN7C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC8=CNC9=C8C=CC=C9)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(N)=N)NC1=O)[C@@H](C)O)C(O)=O)C(=O)CCSC[C@H](N)C(=O)N%10CCC[C@H]%10C(=O)N[C@H](CC%11=C%12C=CC=CC%12=CC=C%11)C(=O)N[C@H](CC(O)=O)C(=O)N2
InChI
InChIKey=CKPJISPOUWYYAX-KEQJBRHSSA-N
InChI=1S/C98H129N23O26S4/c1-52(123)82-96(145)120-31-13-24-75(120)95(144)121-44-57(124)39-76(121)93(142)111-68(38-56-43-104-63-21-8-6-19-60(56)63)87(136)114-73(97(146)147)48-151-35-28-79(127)118-50-116-49-117(51-118)78(126)27-34-150-47-72(113-89(138)70(41-81(130)131)109-85(134)66(36-54-16-11-15-53-14-3-4-17-58(53)54)110-92(141)74-23-12-30-119(74)94(143)61(99)46-149-33-26-77(116)125)91(140)106-65(25-32-148-2)84(133)105-64(22-9-10-29-102-98(100)101)83(132)108-69(40-80(128)129)88(137)107-67(86(135)112-71(45-122)90(139)115-82)37-55-42-103-62-20-7-5-18-59(55)62/h3-8,11,14-21,42-43,52,57,61,64-76,82,103-104,122-124H,9-10,12-13,22-41,44-51,99H2,1-2H3,(H,105,133)(H,106,140)(H,107,137)(H,108,132)(H,109,134)(H,110,141)(H,111,142)(H,112,135)(H,113,138)(H,114,136)(H,115,139)(H,128,129)(H,130,131)(H,146,147)(H4,100,101,102)/t52-,57-,61+,64+,65+,66-,67+,68+,69+,70-,71+,72+,73+,74+,75+,76+,82+/m1/s1
Approval Year
SUBSTANCE RECORD