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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H42N4O4
Molecular Weight 522.6789
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DESNICOTINYL INDINAVIR

SMILES

CC(C)(C)NC(=O)[C@@H]1CNCCN1C[C@@H](O)C[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@H](O)CC4=C3C=CC=C4

InChI

InChIKey=MKMGKCALCCOODL-XXEBQWMLSA-N
InChI=1S/C30H42N4O4/c1-30(2,3)33-29(38)25-18-31-13-14-34(25)19-23(35)16-22(15-20-9-5-4-6-10-20)28(37)32-27-24-12-8-7-11-21(24)17-26(27)36/h4-12,22-23,25-27,31,35-36H,13-19H2,1-3H3,(H,32,37)(H,33,38)/t22-,23+,25+,26-,27+/m1/s1

HIDE SMILES / InChI

Molecular Formula C30H42N4O4
Molecular Weight 522.6789
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

Substance Class Chemical
Record UNII
98N2VRY18Z
Record Status Validated (UNII)
Record Version