Details
| Stereochemistry | EPIMERIC |
| Molecular Formula | C59H88N18O20S |
| Molecular Weight | 1401.504 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 8 / 9 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC2=CN=CN2)C(=O)NCC(=O)NCC(=O)N[C@@H](CSC3CC(=O)N(CCC(=O)NCCCCCC(=O)NCCCC[C@H](N)C(O)=O)C3=O)C(O)=O
InChI
InChIKey=JTAPVIVABNFKBM-ULFFCLSASA-N
InChI=1S/C59H88N18O20S/c1-32(71-51(88)36(61)25-49(85)86)50(87)73-38(16-17-48(83)84)54(91)75-39(23-33-11-4-2-5-12-33)55(92)74-37(14-10-21-67-59(62)63)53(90)76-40(24-34-27-64-31-70-34)52(89)69-28-45(80)68-29-46(81)72-41(58(96)97)30-98-42-26-47(82)77(56(42)93)22-18-44(79)66-19-8-3-6-15-43(78)65-20-9-7-13-35(60)57(94)95/h2,4-5,11-12,27,31-32,35-42H,3,6-10,13-26,28-30,60-61H2,1H3,(H,64,70)(H,65,78)(H,66,79)(H,68,80)(H,69,89)(H,71,88)(H,72,81)(H,73,87)(H,74,92)(H,75,91)(H,76,90)(H,83,84)(H,85,86)(H,94,95)(H,96,97)(H4,62,63,67)/t32-,35-,36-,37-,38-,39-,40-,41-,42?/m0/s1
| Molecular Formula | C59H88N18O20S |
| Molecular Weight | 1401.504 |
| Charge | 0 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 8 / 9 |
| E/Z Centers | 4 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 23:41:30 GMT 2025
by
admin
on
Mon Mar 31 23:41:30 GMT 2025
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| Record UNII |
VXW55WQ4I6
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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Created by
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