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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H32ClN5O4
Molecular Weight 514.016
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MLN-0415

SMILES

C[C@H]1CN(C[C@@H](C)O1)C(=O)CN2CC(C)(C)OC[C@H]2C(=O)NC3=C4NC5=C(C=CN=C5)C4=CC(Cl)=C3

InChI

InChIKey=BQBAVNBXWBYXIF-DMPWYTOCSA-N
InChI=1S/C26H32ClN5O4/c1-15-10-31(11-16(2)36-15)23(33)12-32-14-26(3,4)35-13-22(32)25(34)30-20-8-17(27)7-19-18-5-6-28-9-21(18)29-24(19)20/h5-9,15-16,22,29H,10-14H2,1-4H3,(H,30,34)/t15-,16+,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H32ClN5O4
Molecular Weight 514.016
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
P6CWN9ULN1
Record Status Validated (UNII)
Record Version