Analyte Name

(5S,8S,10aR)-N-benzhydryl-3-(3-methylbutanoyl)-6-oxo-5-(((2S)-2-(trideuteriomethylamino)propanoyl)amino)-1,2,4,5,8,9,10,10a-octahydropyrrolo(1,2-a)(1,5)diazocine-8-carboxamide

Molecular Formula

C32 D3 H40 N5 O4

Molecular Weight

564.733

Accurate Mass

564.35

SMILES

[2H]C([2H])([2H])N[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)C(=O)CC(C)C

InChI

InChI=1S/C32H43N5O4/c1-21(2)19-28(38)36-18-17-25-15-16-27(37(25)32(41)26(20-36)34-30(39)22(3)33-4)31(40)35-29(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-14,21-22,25-27,29,33H,15-20H2,1-4H3,(H,34,39)(H,35,40)/t22-,25+,26-,27-/m0/s1/i4D3

IUPAC

(5S,8S,10aR)-N-benzhydryl-3-(3-methylbutanoyl)-6-oxo-5-[[(2S)-2-(trideuteriomethylamino)propanoyl]amino]-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide

Unlabelled CAS Number

1071992-99-8

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat