Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C86H132N24O24S4 |
Molecular Weight | 2014.375 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 18 / 18 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@]1(NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@@H](N)CSSC[C@H](N)C(=O)N[C@@H](CC3=CC=C(O)C=C3)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC
InChI
InChIKey=QJTGOPRBCPCYLF-AQFNFDSMSA-N
InChI=1S/C86H132N24O24S4/c1-9-43(7)69-83(131)97-51(23-25-63(89)113)75(123)101-57(33-65(91)115)77(125)105-59(85(133)109-27-11-13-61(109)81(129)103-53(29-41(3)4)73(121)95-35-67(93)117)39-137-138-40-60(86(134)110-28-12-14-62(110)82(130)104-54(30-42(5)6)74(122)96-36-68(94)118)106-78(126)58(34-66(92)116)102-76(124)52(24-26-64(90)114)98-84(132)70(44(8)10-2)108-80(128)56(32-46-17-21-48(112)22-18-46)100-72(120)50(88)38-136-135-37-49(87)71(119)99-55(79(127)107-69)31-45-15-19-47(111)20-16-45/h15-22,41-44,49-62,69-70,111-112H,9-14,23-40,87-88H2,1-8H3,(H2,89,113)(H2,90,114)(H2,91,115)(H2,92,116)(H2,93,117)(H2,94,118)(H,95,121)(H,96,122)(H,97,131)(H,98,132)(H,99,119)(H,100,120)(H,101,123)(H,102,124)(H,103,129)(H,104,130)(H,105,125)(H,106,126)(H,107,127)(H,108,128)/t43-,44-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,69-,70-/m0/s1
Approval Year
SUBSTANCE RECORD