Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C79H120N20O26S3 |
| Molecular Weight | 1862.112 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 17 / 17 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CSCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(N)=O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC2=CNC3=C2C=CC=C3)C(=O)N[C@@H](CC(N)=O)C(O)=O
InChI
InChIKey=OMYPEMRFMUNIOW-IIPUYPELSA-N
InChI=1S/C79H120N20O26S3/c1-36(2)27-51(91-65(110)44(80)31-60(83)106)72(117)93-53(29-40-13-15-42(103)16-14-40)73(118)86-46(17-20-58(81)104)66(111)89-49(23-25-127-7)69(114)99-64(39(6)102)78(123)96-56(34-100)75(120)88-47(18-21-59(82)105)67(112)92-52(28-37(3)4)71(116)87-48(19-22-62(108)109)68(113)97-57(35-126)76(121)90-50(24-26-128-8)70(115)98-63(38(5)101)77(122)94-54(74(119)95-55(79(124)125)32-61(84)107)30-41-33-85-45-12-10-9-11-43(41)45/h9-16,33,36-39,44,46-57,63-64,85,100-103,126H,17-32,34-35,80H2,1-8H3,(H2,81,104)(H2,82,105)(H2,83,106)(H2,84,107)(H,86,118)(H,87,116)(H,88,120)(H,89,111)(H,90,121)(H,91,110)(H,92,112)(H,93,117)(H,94,122)(H,95,119)(H,96,123)(H,97,113)(H,98,115)(H,99,114)(H,108,109)(H,124,125)/t38-,39-,44+,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,63+,64+/m1/s1
Approval Year
SUBSTANCE RECORD