Analyte Name

1-(3-Pyridyl-13C6)-1,4-butanediol

Molecular Formula

C36 H36 N4 O8

Molecular Weight

652.693

Accurate Mass

652.253

SMILES

CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(OC(=O)N6CCC(CC6)NC(=O)OCc7ccccc7)cc15)C(O)(CC)C(=O)OC4

InChI

InChI=1S/C36H36N4O8/c1-3-24-25-16-23(48-35(44)39-14-12-22(13-15-39)37-34(43)47-19-21-8-6-5-7-9-21)10-11-29(25)38-31-26(24)18-40-30(31)17-28-27(32(40)41)20-46-33(42)36(28,45)4-2/h5-11,16-17,22,45H,3-4,12-15,18-20H2,1-2H3,(H,37,43)

IUPAC

(10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-7-yl) 4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate

Unlabelled CAS Number

76014-83-0

SIL Type

Carbon

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat