Olcegepant

Analyte Name

Olcegepant

CAS Number

204697-65-4

Molecular Formula

C38 H47 Br2 N9 O5

Molecular Weight

869.645

Accurate Mass

867.207

SMILES

NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N2CCC(CC2)N3Cc4ccccc4NC3=O)C(=O)N5CCN(CC5)c6ccncc6

InChI

InChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-2

IUPAC

N-[(2R)-1-[[(2S)-6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]amino]-3-(3,5-dibromo-4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat