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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H35ClN8O2
Molecular Weight 587.115
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of MEVOCICLIB

SMILES

CN(C)C\C=C\C(=O)NC1=CN=C(C=C1)C(=O)N[C@@]2(C)CCC[C@H](C2)NC3=NC=C(Cl)C(=N3)C4=CNC5=C4C=CC=C5

InChI

InChIKey=SCJNYBYSTCRPAO-LXBQGUBHSA-N
InChI=1S/C31H35ClN8O2/c1-31(39-29(42)26-13-12-21(17-33-26)36-27(41)11-7-15-40(2)3)14-6-8-20(16-31)37-30-35-19-24(32)28(38-30)23-18-34-25-10-5-4-9-22(23)25/h4-5,7,9-13,17-20,34H,6,8,14-16H2,1-3H3,(H,36,41)(H,39,42)(H,35,37,38)/b11-7+/t20-,31+/m1/s1

HIDE SMILES / InChI

Molecular Formula C31H35ClN8O2
Molecular Weight 587.115
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
704LW082GI
Record Status Validated (UNII)
Record Version