Analyte Name

(2S,4R)-1-[(2S)-2-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-3,3-dimethyl-1-oxobutyl]-4-hydroxy-N-[(5S)-6,7,8,9-tetrahydro-2-(4-methyl-5-thiazolyl)-5H-benzocyclohepten-5-yl]-2-Pyrrolidinecarboxamide

CAS Number

2771069-76-0

Molecular Formula

C31H40N6O3S

Molecular Weight

576.76

Accurate Mass

576.29

SMILES

CC(N=CS1)=C1C2=CC=C(C(CCCC3)=C2)[C@H]3NC([C@H](C[C@H](C4)O)N4C([C@@H](N5C=C(C6CC6)N=N5)C(C)(C)C)=O)=O

InChI

InChI=1S/C31H40N6O3S/c1-18-27(41-17-32-18)21-11-12-23-20(13-21)7-5-6-8-24(23)33-29(39)26-14-22(38)15-36(26)30(40)28(31(2,3)4)37-16-25(34-35-37)19-9-10-19/h11-13,16-17,19,22,24,26,28,38H,5-10,14-15H2,1-4H3,(H,33,39)/t22-,24+,26+,28-/m1/s1

IUPAC

(2S,4R)-1-((S)-2-(4-Cyclopropyl-1H-1,2,3-triazol-1-yl)-3,3-dimethylbutanoyl)-4-hydroxy-N-((S)-2-(4-methylthiazol-5-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrrolidine-2-carboxamide

Alternate CAS Number

55707-41-0

Country of Origin

CANADA

Product Format

Neat