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Details

Stereochemistry ABSOLUTE
Molecular Formula C40H68N12O12S
Molecular Weight 941.106
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [EP-2101 COMPONENT SER-MET-PRO-PRO-PRO-GLY-THR-ARG-VAL]

SMILES

CSCC[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(O)=O

InChI

InChIKey=GHPWGQAWDMZWAZ-FGRJEPIESA-N
InChI=1S/C40H68N12O12S/c1-21(2)30(39(63)64)49-33(57)24(9-5-14-44-40(42)43)46-35(59)31(22(3)54)48-29(55)19-45-34(58)26-10-6-15-50(26)37(61)28-12-8-17-52(28)38(62)27-11-7-16-51(27)36(60)25(13-18-65-4)47-32(56)23(41)20-53/h21-28,30-31,53-54H,5-20,41H2,1-4H3,(H,45,58)(H,46,59)(H,47,56)(H,48,55)(H,49,57)(H,63,64)(H4,42,43,44)/t22-,23+,24+,25+,26+,27+,28+,30+,31+/m1/s1

HIDE SMILES / InChI

Molecular Formula C40H68N12O12S
Molecular Weight 941.106
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 07:52:50 GMT 2025
Edited
by admin
on Wed Apr 02 07:52:50 GMT 2025
Record UNII
4CSB5E2JF2
Record Status alternative
Record Version
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Related Record Type Details
Primary Definition