Stereochemistry | ABSOLUTE |
Molecular Formula | C66H84N18O13 |
Molecular Weight | 1337.486 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 9 / 9 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)C[C@H](NC(=O)[C@@H](CC1=CC=C2C=CC=CC2=C1)NC(=O)[C@H](CC3=CC=C(O)C=C3)NC(=O)[C@H](CO)NC(=O)[C@H](CC4=CNC5=CC=CC=C45)NC(=O)[C@H](CC6=CN=CN6)NC(=O)[C@@H]7CCC(=O)N7)C(=O)N[C@@H](CCCNC(N)=N)CC(=O)N8CCC[C@H]8C(=O)NNC(N)=O
InChI
InChIKey=JOHPSRCWZOGVJC-QAAVFMDQSA-N
InChI=1S/C66H84N18O13/c1-36(2)25-48(58(90)74-42(11-7-23-71-65(67)68)31-56(88)84-24-8-14-54(84)64(96)82-83-66(69)97)76-60(92)50(28-38-15-18-39-9-3-4-10-40(39)26-38)77-59(91)49(27-37-16-19-44(86)20-17-37)78-63(95)53(34-85)81-61(93)51(29-41-32-72-46-13-6-5-12-45(41)46)79-62(94)52(30-43-33-70-35-73-43)80-57(89)47-21-22-55(87)75-47/h3-6,9-10,12-13,15-20,26,32-33,35-36,42,47-54,72,85-86H,7-8,11,14,21-25,27-31,34H2,1-2H3,(H,70,73)(H,74,90)(H,75,87)(H,76,92)(H,77,91)(H,78,95)(H,79,94)(H,80,89)(H,81,93)(H,82,96)(H4,67,68,71)(H3,69,83,97)/t42-,47-,48-,49-,50+,51-,52-,53-,54-/m0/s1
Molecular Formula | C66H84N18O13 |
Molecular Weight | 1337.486 |
Charge | 0 |
Count |
MOL RATIO
1 MOL RATIO (average) |
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 9 / 9 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |