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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H28N2O5S
Molecular Weight 480.576
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of M-100240

SMILES

CC(=O)S[C@@H](CC1=CC=CC=C1)C(=O)N[C@H]2CC3=C(C=CC=C3)[C@H]4CCC[C@H](N4C2=O)C(O)=O

InChI

InChIKey=AIEZUMPHACQOGT-BJESRGMDSA-N
InChI=1S/C26H28N2O5S/c1-16(29)34-23(14-17-8-3-2-4-9-17)24(30)27-20-15-18-10-5-6-11-19(18)21-12-7-13-22(26(32)33)28(21)25(20)31/h2-6,8-11,20-23H,7,12-15H2,1H3,(H,27,30)(H,32,33)/t20-,21+,22-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H28N2O5S
Molecular Weight 480.576
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
0K57643Y3A
Record Status Validated (UNII)
Record Version