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Details

Stereochemistry EPIMERIC
Molecular Formula C60H96N10O23S
Molecular Weight 1357.522
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LYSYL PEG AZETIDINONE LINKER

SMILES

N[C@@H](CCCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCN1C(=O)CC(SC[C@H](NC(=O)COCC(=O)NC2=CC=C(CCC(=O)N3CCC3=O)C=C2)C(=O)NCCOCCOCCOCCOCCC(=O)NCCCC[C@H](N)C(O)=O)C1=O)C(O)=O

InChI

InChIKey=BMJOPDBXGYDEAV-JCDUACJLSA-N
InChI=1S/C60H96N10O23S/c61-45(59(81)82)5-1-3-17-63-50(72)15-23-85-27-31-89-35-37-91-33-29-87-25-19-65-49(71)13-21-70-56(78)39-48(58(70)80)94-42-47(68-53(75)41-93-40-52(74)67-44-10-7-43(8-11-44)9-12-54(76)69-22-14-55(69)77)57(79)66-20-26-88-30-34-92-38-36-90-32-28-86-24-16-51(73)64-18-4-2-6-46(62)60(83)84/h7-8,10-11,45-48H,1-6,9,12-42,61-62H2,(H,63,72)(H,64,73)(H,65,71)(H,66,79)(H,67,74)(H,68,75)(H,81,82)(H,83,84)/t45-,46-,47-,48?/m0/s1

HIDE SMILES / InChI

Molecular Formula C60H96N10O23S
Molecular Weight 1357.522
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 3 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
W8WO86499O
Record Status Validated (UNII)
Record Version