| Stereochemistry | ABSOLUTE |
| Molecular Formula | C65H101N17O16S.C15H12O6 |
| Molecular Weight | 1696.919 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 14 / 14 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C1=CC(CC2=CC(C(O)=O)=C(O)C=C2)=CC=C1O.CC[C@H](C)[C@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CSC(=N3)[C@@H](N)C(C)C)C(=O)N[C@H]4CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC5=CNC=N5)NC(=O)[C@@H](CC6=CC=CC=C6)NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC4=O)[C@@H](C)CC
InChI
InChIKey=WVJUGFXNMFUPAP-VSYREJSLSA-N
InChI=1S/C65H101N17O16S.C15H12O6/c1-9-35(7)52(82-57(91)41(21-22-49(84)85)73-58(92)42(25-33(3)4)75-62(96)47-31-99-65(80-47)51(68)34(5)6)63(97)74-39-19-14-15-24-70-54(88)45(28-48(67)83)77-61(95)46(29-50(86)87)78-60(94)44(27-38-30-69-32-71-38)76-59(93)43(26-37-17-12-11-13-18-37)79-64(98)53(36(8)10-2)81-56(90)40(20-16-23-66)72-55(39)89;16-12-3-1-8(6-10(12)14(18)19)5-9-2-4-13(17)11(7-9)15(20)21/h11-13,17-18,30,32-36,39-47,51-53H,9-10,14-16,19-29,31,66,68H2,1-8H3,(H2,67,83)(H,69,71)(H,70,88)(H,72,89)(H,73,92)(H,74,97)(H,75,96)(H,76,93)(H,77,95)(H,78,94)(H,79,98)(H,81,90)(H,82,91)(H,84,85)(H,86,87);1-4,6-7,16-17H,5H2,(H,18,19)(H,20,21)/t35-,36-,39-,40+,41+,42-,43+,44-,45-,46+,47-,51-,52-,53-;/m0./s1
| Molecular Formula | C65H101N17O16S |
| Molecular Weight | 1408.667 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 14 / 14 |
| E/Z Centers | 4 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C15H12O6 |
| Molecular Weight | 288.2522 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
