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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H44N6O11
Molecular Weight 688.7254
Optical Activity ( + )
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CPZEN-45

SMILES

CCCCC1=CC=C(NC(=O)C2=CCN(C)[C@@H]([C@H](O[C@@H]3O[C@H](CN)[C@@H](O)[C@H]3O)[C@H]4O[C@H]([C@H](O)[C@@H]4O)N5C=CC(=O)NC5=O)C(=O)N2C)C=C1

InChI

InChIKey=RQVDLVWYEOCAJE-KDHSHZOVSA-N
InChI=1S/C32H44N6O11/c1-4-5-6-16-7-9-17(10-8-16)34-28(44)18-11-13-36(2)21(29(45)37(18)3)26(49-31-25(43)22(40)19(15-33)47-31)27-23(41)24(42)30(48-27)38-14-12-20(39)35-32(38)46/h7-12,14,19,21-27,30-31,40-43H,4-6,13,15,33H2,1-3H3,(H,34,44)(H,35,39,46)/t19-,21+,22-,23+,24-,25-,26+,27+,30-,31+/m1/s1

HIDE SMILES / InChI

Molecular Formula C32H44N6O11
Molecular Weight 688.7254
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
LLP2Z9Z2EK
Record Status Validated (UNII)
Record Version